SCHEMBL13646201

SCHEMBL13646201

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)CC(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
LMNA P02545 6/20 0.40
RAB9A P51151 5/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
LTA4H P09960 1/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCHR2 Q969V1 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3835296 0.90 ALDH1A1 (0.41) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL2473833 0.89 HDAC1 (0.50) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL13646206 0.88 ALDH1A1 (0.40) ALDH1A1LMNAPOLBTP53MEN1
SCHEMBL13646199 0.81 ALDH1A1 (0.52) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL13646239 0.81 KDM4E (0.47) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL13646250 0.80 ALDH1A1 (0.51) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL4388358 0.78 ALDH1A1 (0.42) ALDH1A1LMNAPOLBTP53MEN1
SCHEMBL2473804 0.77 HDAC1 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3832445 0.77 ACKR3 (0.47) ALDH1A1LMNARAB9APOLBTP53
SCHEMBL2475880 0.77 LTA4H (0.44) ALDH1A1LMNAPOLBMEN1KMT2A

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-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed