SCHEMBL4025232

SCHEMBL4025232

O=C1CCCc2[nH]c3ccc(Br)cc3c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.60
MAP3K14 Q99558 1/20 0.53
PARP1 P09874 1/20 0.46
DYRK1A Q13627 2/20 0.46
HPGD P15428 1/20 0.44
KDR P35968 2/20 0.43
BAZ2B Q9UIF8 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
TSHR P16473 1/20 0.41
CASP7 P55210 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL1612144 0.97 HSD17B10 (0.64) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL1004766 0.88 MAPT (0.50) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL2303878 0.81 ALDH1A1 (0.60) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL6921570 0.81 DYRK1A (0.46) LMNAALDH1A1DYRK1AHPGDKDR
SCHEMBL2301312 0.81 LMNA (0.60) LMNAHSD17B10ALDH1A1MAPK1MAP3K14
SCHEMBL10154866 0.81 KDR (0.66) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL6925320 0.78 KDR (0.70) MAPTLMNAHSD17B10ALDH1A1PARP1
SCHEMBL13746901 0.78 MAPT (0.57) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL22128354 0.78 HSD17B10 (0.44) MAPTLMNAHSD17B10ALDH1A1MAPK1
SCHEMBL12647098 0.77 MAPT (1.00) MAPTLMNAHSD17B10ALDH1A1MAPK1

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-4725615-A SELECTIVE FOR \"NEURONAL\" 5-HYDROXYTRYPTAMINE RECEPTORS; NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED 1988-02-16 US disclosed
EP-0219193-A1 Tetrahydrocarbazolone derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-04-22 EP disclosed