SCHEMBL5340690

SCHEMBL5340690

FC(F)(F)c1cccc(-c2cnc3nc(-c4ccc(Cl)cc4)c(Br)n3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
GRIN2B Q13224 5/20 0.37
GRIN1 Q05586 2/20 0.37

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
SCHEMBL5342580 0.90 TDP1 (0.47) MAOBADORA2AADORA1TDP1DYRK1A
SCHEMBL5338540 0.88 AKT1 (0.46) MAOBADORA2AADORA1RAB9ATDP1
Hydrochloric Acid SCHEMBL5344599 0.87 AKT1 (0.45) MAOBADORA2AADORA1RAB9ATDP1
SCHEMBL5349135 0.86 SMN1; SMN2 (0.44) ADORA2AADORA1RAB9ANPC1KDM4E
SCHEMBL5346776 0.83 AKT1 (0.42) MAOBADORA2AADORA1RAB9ATDP1
SCHEMBL5319387 0.81 AKT1 (0.41) MAOBADORA2AADORA1RAB9ATDP1
SCHEMBL5343644 0.81 GRIN1 (0.46) RAB9ATDP1NPC1KDM4EALDH1A1
SCHEMBL5343214 0.78 TDP1 (0.47) MAOBADORA2AADORA1TDP1DYRK1A
SCHEMBL5340807 0.76 NR4A2 (0.52) MAOBRAB9ANPC1CCNA2CDK2
SCHEMBL5324596 0.76 TDP1 (0.46) MAOBADORA2AADORA1TDP1KDM4E

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-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed