SCHEMBL7640445

SCHEMBL7640445

COc1cccc(-n2ccnn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 1.00
KEAP1 Q14145 1/20 0.60
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
CYP19A1 P11511 1/20 0.46
MGLL Q99685 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL29842378 1.00 NOTUM (1.00) NOTUMKEAP1NPC1MAPTCYP19A1
SCHEMBL14961974 0.83 NOTUM (0.75) NOTUMKEAP1CYP19A1
SCHEMBL30413216 0.82 NOTUM (0.69) NOTUMKEAP1NPC1MAPTCYP19A1
SCHEMBL28166936 0.80 NOTUM (0.67) NOTUMKEAP1MAPTCYP19A1CA1
SCHEMBL28266369 0.79 NOTUM (0.65) NOTUMKEAP1
SCHEMBL29471936 0.79 NOTUM (0.65) NOTUMKEAP1
SCHEMBL670667 0.79 NOTUM (0.65) NOTUMKEAP1CYP19A1MGLLALDH1A1
SCHEMBL29084891 0.79 NOTUM (0.65) NOTUMKEAP1MAPTCYP19A1CA1
SCHEMBL29084878 0.77 NOTUM (0.63) NOTUMKEAP1CYP19A1MGLLALDH1A1
SCHEMBL29635591 0.77 NOTUM (0.63) NOTUMNPC1MAPTMGLLCA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210151696-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-20 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
EP-1169360-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2002-01-09 EP disclosed
WO-2000058373-A1 PROCESS FOR PRODUCING POLYOLEFINS EASTMAN CHEMICAL COMPANY (US) 2000-10-05 WO disclosed