SCHEMBL11298652

SCHEMBL11298652

O=C(O)c1ccc(CCNC(=O)c2cc(Br)ccc2N2CC3CCCCC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KRAS P01116 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL11194691 0.85 POLB (0.52) TOP2ANPC1RAB9APOLBMAPT
SCHEMBL11186679 0.82 POLB (0.42) TOP2ANPC1RAB9APOLBMAPT
SCHEMBL11183138 0.82 EGFR (0.43) TOP2ANPC1RAB9APOLBMAPT
SCHEMBL11286093 0.78 MYC (0.50) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11178712 0.76 POLB (0.55) POLBMAPTKDM4EALDH1A1MEN1
SCHEMBL11164561 0.74 MAPT (0.46) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL11164525 0.74 MAPT (0.46) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL11441498 0.74 MCHR1 (0.56) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL11199912 0.73 NPC1 (0.45) NPC1RAB9APOLBMAPTPTGDR2
SCHEMBL11190019 0.73 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53

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
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 — — EP disclosed
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