SCHEMBL4708567

SCHEMBL4708567

CC(CNCc1ccccc1NC(=O)N1CCN(C)CC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM3 P20309 3/20 0.45
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4708259 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4706421 0.89 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4710157 0.88 KDM4E (0.51) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL4709973 0.86 MAPT (0.45) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL4706905 0.86 KMT2A (0.49) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4707120 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1GAAPKM
SCHEMBL4707004 0.84 KMT2A (0.49) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4707760 0.83 TRPV1 (0.43) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL4708549 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4705836 0.82 KMT2A (0.50) KDM4EALDH1A1TDP1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed