SCHEMBL8625656

SCHEMBL8625656

CCCCS(=O)(=O)Nc1cc(N2CCN(C)CC2)cc(-c2ccccc2Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.41
BRD4 O60885 3/20 0.41
ALDH1A1 P00352 1/20 0.39
HRH4 Q9H3N8 4/20 0.38
PARP14 Q460N5 1/20 0.37
CYP1A2 P05177 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
FLT3 P36888 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
SCHEMBL8625881 0.94 BRD4 (0.45) BRD4ALDH1A1HRH4CYP1A2CNR1
SCHEMBL8624540 0.91 PGAM1 (0.40) PGAM1BRD4PARP14CNR1CNR2
SCHEMBL8628563 0.91 BRD4 (0.42) PGAM1BRD4PARP14AURKAKDR
SCHEMBL8625789 0.91 BRD4 (0.43) BRD4ALDH1A1HRH4CYP1A2CNR1
SCHEMBL8624680 0.85 GAA (0.45) ALDH1A1
SCHEMBL8624605 0.85 BRD4 (0.47) BRD4ALDH1A1PARP14AURKAKDR
SCHEMBL8624802 0.85 KDM2B (0.39) BRD4CNR1CNR2
SCHEMBL8624803 0.84 ALDH1A1 (0.44) BRD4ALDH1A1HRH4CYP1A2CNR1
SCHEMBL8630282 0.82 PGAM1 (0.39) PGAM1BRD4PARP14AURKAKDR
SCHEMBL8628033 0.81 ALDH1A1 (0.42) BRD4ALDH1A1HRH4CYP1A2CYP3A4

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-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed