SCHEMBL8473587

SCHEMBL8473587

COC(=O)c1cc(N)c(Br)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
GAA P10253 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
CFTR P13569 3/20 0.46
ABL1 P00519 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL17596509 0.93 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL1770853 0.87 KDM4E (0.49) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30280995 0.87 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2318882 0.87 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL1720999 0.85 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL18420521 0.83 NOTUM (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL31385726 0.83 NOTUM (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL2897750 0.83 KDM4E (0.61) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL274700 0.83 KDM4E (0.55) KDM4EALDH1A1GAAHSD17B10HPGD
Hydrochloric Acid SCHEMBL5417457 0.81 KDM4E (0.53) KDM4EALDH1A1GAAHSD17B10HPGD

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
US-5856344-A CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; STOCK HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed