SCHEMBL6991905

SCHEMBL6991905

O=C1C=Cc2cc3ccccc3n21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.40
DAO P14920 2/20 0.38
TLR9 Q9NR96 1/20 0.35
MGLL Q99685 2/20 0.34
CA12 O43570 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
CA9 Q16790 1/20 0.34
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
KLK7 P49862 1/20 0.34
FAAH O00519 1/20 0.33
PLA2G10 O15496 1/20 0.33

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
SCHEMBL6675287 0.74 NOTUM (0.49) NOTUMALDH1A1TSHRDAOCA12
SCHEMBL28637733 0.69 MGLL (0.50) NOTUMALDH1A1TSHRHSP90AA1TLR9
SCHEMBL3983615 0.69 NOTUM (0.43) NOTUMALDH1A1TSHRDAOCA12
SCHEMBL6417750 0.65 HSP90AA1 (0.46) NOTUMALDH1A1HSP90AA1DAOTLR9
SCHEMBL29851785 0.64 HTR2A (0.40) NOTUMALDH1A1TSHRDAOCA12
SCHEMBL1864062 0.64 HTR2A (0.40) NOTUMALDH1A1TSHRDAOCA12
SCHEMBL5917428 0.63 NOTUM (0.41) NOTUMALDH1A1TSHRDAOKDM4E
SCHEMBL31717960 0.63 RAB9A (0.47) NOTUMALDH1A1TSHRDAOKDM4E
SCHEMBL9259627 0.63 NOTUM (1.00) NOTUMALDH1A1TSHRDAOCA12
SCHEMBL30615209 0.63 NOTUM (1.00) NOTUMALDH1A1TSHRDAOCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607864-B1 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-17 EP disclosed
EP-0655451-B1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 EP disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
US-5527800-A A 4H-PYRROLO(3,2,1-IJ)QUINOLIN-8-YL DERIVATIVE ADMINISTERED FOR THERAPY OR PROPHYLAXIS OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP disclosed