SCHEMBL1114367

SCHEMBL1114367

CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.79
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALOX5 P09917 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 2/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8076355 0.96 NPC1 (0.79) NPC1CA12CA1CA2CA7
SCHEMBL13144461 0.92 NPC1 (0.73) NPC1CA12CA1CA2CA7
SCHEMBL584234 0.90 NPC1 (0.71) NPC1CA12CA1CA2CA7
SCHEMBL5095881 0.90 NPC1 (0.71) NPC1CA12CA1CA2CA7
SCHEMBL7683393 0.90 NPC1 (0.71) NPC1CA12CA1CA2CA7
SCHEMBL91308 0.89 NPC1 (1.00) NPC1CA12CA1CA2CA7
SCHEMBL3266105 0.89 NPC1 (0.69) NPC1CA12CA1CA2CA7
SCHEMBL4162991 0.89 NPC1 (0.69) NPC1CA12CA1CA2CA7
SCHEMBL584503 0.89 NPC1 (0.69) NPC1CA12CA1CA2CA7
SCHEMBL11170918 0.89 NPC1 (0.74) NPC1CA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112964704-B Ledebouriella lactone detection test paper, color chart and rapid detection method 甘肃润达药业有限公司 2024-03-22 CN claimed
CN-116265941-A Method for detecting triptolide content in compound preparation containing tripterygium medicinal material 四川大学华西医院 2023-06-20 CN claimed
CN-113248515-B Extraction method of saposhnikovia divaricata lactone and saposhnikovia divaricata lactone acid 甘肃润达药业有限公司 2023-03-17 CN claimed
CN-113248515-A Extraction method of saposhnikovia divaricata lactone and saposhnikovia divaricata lactone acid 甘肃安卓幸制药有限公司 2021-08-13 CN claimed
CN-112964704-A Saposhnikovia divaricata lactone detection test paper, colorimetric card and rapid detection method 甘肃安卓幸制药有限公司 2021-06-15 CN claimed
US-8282751-B2 Methods of forming a sensitized explosive and a percussion primer ALLIANT TECHSYSTEMS INC. (US) 2012-10-09 US claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20100116385-A1 Methods of forming a sensitized explosive and a percussion primer ALLIANT TECHSYSTEMS INC. (US) 2010-05-13 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20060219341-A1 Heavy metal free, environmentally green percussion primer and ordnance and systems incorporating same ALLIANT TECHSYSTEMS INC. 2006-10-05 US claimed
EP-1707547-A2 Heavy metal free, environmentally green percussion primer and ordinance and system incorporationg same Alliant Techsystems Inc. (US) 2006-10-04 EP claimed
CN-112964704-B Ledebouriella lactone detection test paper, color chart and rapid detection method 甘肃润达药业有限公司 2024-03-22 CN disclosed
CN-112964704-B Ledebouriella lactone detection test paper, color chart and rapid detection method 甘肃润达药业有限公司 2024-03-22 CN disclosed
CN-116265941-A Method for detecting triptolide content in compound preparation containing tripterygium medicinal material 四川大学华西医院 2023-06-20 CN disclosed
CN-113248515-B Extraction method of saposhnikovia divaricata lactone and saposhnikovia divaricata lactone acid 甘肃润达药业有限公司 2023-03-17 CN disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4758348-A Using membrane containing charge interactive groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-07-19 US disclosed
EP-0190647-A2 Copolymer, separating membrane made thereof and method for separating charge transfer interactive substance from a liquid mixture containing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-08-13 EP disclosed
US-4285699-A REDOX SYSTEMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-25 US disclosed