SCHEMBL10488389

SCHEMBL10488389

O=C1c2ccccc2C(=O)N1CCc1ccccc1CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CASP3 P42574 2/20 0.51
HSD17B10 Q99714 1/20 0.50
GLS O94925 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3213661 0.81 CASP3 (0.49) GAAMEN1KMT2ACASP3GLS
SCHEMBL10488503 0.79 CASP3 (0.65) RAB9AGAAMAPTKMT2ACASP3
SCHEMBL29018590 0.79 GAA (0.56) RAB9AGAAMAPTNPC1MEN1
SCHEMBL53287 0.77 BCHE (0.63) RAB9AMAPTNPC1CASP3GLS
SCHEMBL30434337 0.77 BCHE (0.63) RAB9AMAPTNPC1CASP3GLS
SCHEMBL3242823 0.76 MAPT (0.57) RAB9AGAAMAPTNPC1MEN1
SCHEMBL4656546 0.76 GAA (0.50) RAB9AGAAMAPTNPC1MEN1
SCHEMBL6699936 0.76 GLS (0.71) RAB9AMAPTNPC1CASP3GLS
SCHEMBL1429821 0.75 CASP3 (0.65) RAB9AGAAMAPTKMT2ACASP3
SCHEMBL24618276 0.75 MAPT (0.49) RAB9AGAAMAPTNPC1MEN1

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-4873254-A ADRENERGIC BLOCKING AGENTS OR CALCIUM CHANNEL BLOCKERS; HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-10 US disclosed