SCHEMBL10772005

SCHEMBL10772005

CC1(C)C=Cc2ccnc(Br)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
PPARD Q03181 1/20 0.33
CCR8 P51685 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CA7 P43166 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL5365370 0.73 PPARD (0.38) PPARDCCR8KCNH2HSD17B10KDM4E
SCHEMBL8120470 0.69 MAPT (0.44) HIF1AEPAS1CCR8KCNH2HSD17B10
SCHEMBL2564022 0.67 HIF1A (0.38) HIF1AEPAS1PPARDALDH1A1NPC1
SCHEMBL13805579 0.67 HTR2C (0.55) HIF1AEPAS1PPARDCCR8KCNH2
SCHEMBL7300235 0.66 CA12 (0.43) HIF1AEPAS1CCR8KCNH2HSD17B10
SCHEMBL7300006 0.66 HIF1A (0.41) HIF1AEPAS1HSD17B10KDM4EALDH1A1
SCHEMBL8722880 0.66 TYR (0.41) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9917550 0.63 HSD17B10 (0.43) HIF1AEPAS1PPARDHSD17B10KDM4E
SCHEMBL2628506 0.63 HIF1A (0.36) HIF1AEPAS1HSD17B10KDM4EALDH1A1
SCHEMBL10754732 0.62 TLR3 (0.36) HIF1AEPAS1KDM4EALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1987007607-A1 PYRANO (3,2-c) PYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP P.L.C. (GB) 1987-12-17 WO disclosed