SCHEMBL27690165

SCHEMBL27690165

O=C(CBr)Nc1ccc2c(c1)CCC2=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.55
RAB9A P51151 2/20 0.48
MAPK14 Q16539 8/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
TERT O14746 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B1 P14061 1/20 0.43

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
SCHEMBL21834193 0.91 BAZ2B (0.68) BAZ2BRAB9AMAPK14NPC1KDM4E
SCHEMBL21765666 0.81 RAB9A (0.71) RAB9APOLBNPC1KDM4EMAPT
SCHEMBL15190881 0.81 BAZ2B (0.60) BAZ2BRAB9AMAPK14NPC1MKNK1
SCHEMBL1091777 0.80 BAZ2B (0.82) BAZ2BRAB9AMAPK14NPC1CASP1
SCHEMBL1091505 0.79 BAZ2B (0.56) BAZ2BRAB9AMAPK14NPC1MAPT
SCHEMBL1091597 0.77 BAZ2B (0.60) BAZ2BRAB9AMAPK14NPC1MKNK1
SCHEMBL21505098 0.77 BAZ2B (0.60) BAZ2BRAB9AMAPK14POLBNPC1
SCHEMBL29975245 0.76 NPC1 (0.64) RAB9APOLBNPC1KDM4E
SCHEMBL28366098 0.76 NPC1 (0.64) RAB9APOLBNPC1KDM4E
SCHEMBL10751140 0.76 BAZ2B (0.55) BAZ2BRAB9AMAPK14NPC1MKNK1

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
CN-85101925-A Prepare the method that salt is allowed in heterogeneous ring compound and pharmacy thereof 1987-01-24 CN disclosed