SCHEMBL5800828

SCHEMBL5800828

COc1cc(N)cc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 1/20 0.52
CYP19A1 P11511 2/20 0.46
NQO2 P16083 1/20 0.46
HTR6 P50406 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL116606 0.94 ALDH1A1 (0.69) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
Hydrochloric Acid SCHEMBL3275940 0.91 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
Ammonia Solution, Strong SCHEMBL10988442 0.91 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL30365875 0.91 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL21611343 0.91 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL27185954 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL30839799 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL28418203 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL879948 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL1794250 0.82 CYP3A4 (0.50) ALDH1A1CYP3A4TDP1MAPK1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118217163-A Soluble slow-release material and preparation method thereof 无锡美芝电器有限公司 2024-06-21 CN claimed
US-9943810-B2 Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-17 US claimed
US-20170203259-A1 COMPOSITE POLYAMIDE MEMBRANE POST-TREATED WITH NITROUS ACID THE DOW CHEMICAL COMPANY 2017-07-20 US claimed
WO-2015175258-A1 COMPOSITE POLYAMIDE MEMBRANE POST-TREATED WITH NITROUS ACID DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-19 WO claimed
US-5536408-A ULTRAFILTRATION, BIOCHEMISTRY SUPPORTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-16 US claimed
EP-0539870-A1 Hydrophilic asymmetric chemically resistant polyaramide membranes HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-05 EP claimed
CN-118217163-A Soluble slow-release material and preparation method thereof 无锡美芝电器有限公司 2024-06-21 CN disclosed
WO-2023277604-A1 NOVEL COMPOUND FOR CAPPING LAYER, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2023-01-05 WO disclosed
US-9943810-B2 Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-17 US disclosed
US-9943810-B2 Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-17 US disclosed
US-9943810-B2 Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-17 US disclosed
US-20170203259-A1 COMPOSITE POLYAMIDE MEMBRANE POST-TREATED WITH NITROUS ACID THE DOW CHEMICAL COMPANY 2017-07-20 US disclosed
US-20170203259-A1 COMPOSITE POLYAMIDE MEMBRANE POST-TREATED WITH NITROUS ACID THE DOW CHEMICAL COMPANY 2017-07-20 US disclosed
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed