SCHEMBL727155

SCHEMBL727155

O=C(Oc1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
TBXAS1 P24557 2/20 0.31
HSPA5 P11021 1/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL9004893 0.90 NPC1 (0.38) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL9005008 0.89 NPC1 (0.37) NPC1RAB9AKMT2AALDH1A1KDM4E
Triethylene Glycol SCHEMBL9004823 0.86 NPC1 (0.35) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL7766524 0.79 ALDH1A1 (0.41) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL384128 0.79 ALDH1A1 (0.37) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31229951 0.79 NPC1 (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2493637 0.78 ALDH1A1 (0.40) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL9063985 0.78 ALDH1A1 (0.40) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL667770 0.78
SCHEMBL5323575 0.77 LMNA (0.45) RAB9AKMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116983263-B Embedding system of dihydrocannabidiol diimidazole formate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-19 CN claimed
CN-116983263-A Embedding system of dihydrocannabidiol diimidazole formate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-11-03 CN claimed
EP-1200178-A1 COMPOSITE MEMBRANE WITH POLYALKYLENE OXIDE MODIFIED POLYAMIDE SURFACE THE DOW CHEMICAL COMPANY (US) 2002-05-02 EP claimed
WO-2000076641-A1 COMPOSITE MEMBRANE WITH POLYALKYLENE OXIDE MODIFIED POLYAMIDE SURFACE THE DOW CHEMICAL COMPANY (US) 2000-12-21 WO claimed
CN-1206710-A Assamirocine anticancer compound and preparation method and application thereof WANG HUIPO (CN) 1999-02-03 CN claimed
EP-0588853-B1 POLYCARBONATES AND THE USE THEREOF FOR THE PREPARATION OF BIOEROSIBLE MATRICES MEDIOLANUM FARMACEUTICI SRL (IT) 1996-09-18 EP claimed
US-5463012-A Polycarbonates and the use thereof for the preparation of bioerosible matrices MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-10-31 US claimed
EP-0097907-A2 Cell culture microcarriers FLOW GENERAL, INC. (US) 1984-01-11 EP claimed
CN-116983266-B Embedding system of dihydrocannabidiol difurancarboxylate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-22 CN disclosed
CN-116983264-B Embedding system of dihydrocannabidiol dibenzoate as well as preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-22 CN disclosed
CN-116983263-B Embedding system of dihydrocannabidiol diimidazole formate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-19 CN disclosed
CN-116983267-B Embedding system of dihydrocannabidiol dinitrate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-19 CN disclosed
CN-116983263-B Embedding system of dihydrocannabidiol diimidazole formate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-19 CN disclosed
CN-116983263-B Embedding system of dihydrocannabidiol diimidazole formate and preparation method and application thereof 中国农业科学院农产品加工研究所 2023-12-19 CN disclosed
US-4973649-A BISMALEIMIDE, HINDERED AMINE, VINYL OR ALLYL SUBSTITUTED HETEROCYCLE, ACRYLIC ESTER RHONE-POULENC CHIMIE (FR) 1990-11-27 US disclosed
EP-0364016-A1 Polyphosphazene polymers and their preparation Stichting Biomaterials Science Center, VU, "BSC-VU" (NL) 1990-04-18 EP disclosed
US-4503221-A PYRAZOLYL OXIME AMIDE SANDOZ LTD. (CH) 1985-03-05 US disclosed
EP-0108813-A1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-23 EP disclosed
US-4440767-A Derivatives of cephalosporanic acid, processes for their production and their use SANDOZ LTD. (CH) 1984-04-03 US disclosed
EP-0097907-A2 Cell culture microcarriers FLOW GENERAL, INC. (US) 1984-01-11 EP disclosed