SCHEMBL2477893

SCHEMBL2477893

CN(C)CCC(NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.64
UTS2R Q9UKP6 8/20 0.49
HDAC2 Q92769 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HDAC3 O15379 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 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
SCHEMBL2474374 0.89 HDAC1 (0.65) HDAC1HDAC2NPC1RAB9AHDAC3
SCHEMBL2473990 0.89 HDAC1 (0.67) HDAC1HDAC2NPC1RAB9AHDAC3
SCHEMBL2474442 0.85 HDAC1 (0.60) HDAC1HDAC2NPC1RAB9AHDAC3
SCHEMBL2471256 0.85 UTS2R (0.58) HDAC1UTS2RHDAC2HDAC3
SCHEMBL2474635 0.84 UTS2R (0.50) HDAC1UTS2RHDAC2NPC1RAB9A
SCHEMBL2478586 0.84 HDAC1 (0.60) HDAC1HDAC2NPC1RAB9AHDAC3
SCHEMBL2474090 0.84 UTS2R (0.52) HDAC1UTS2RHDAC2NPC1RAB9A
SCHEMBL2474114 0.84 UTS2R (0.54) HDAC1UTS2R
SCHEMBL2480482 0.83 UTS2R (0.55) HDAC1UTS2RHDAC2HDAC3
SCHEMBL3835404 0.83 HDAC1 (0.59) HDAC1UTS2RHDAC2HDAC3

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-2107052-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP claimed