SCHEMBL8630282

SCHEMBL8630282

CCCCS(=O)(=O)Nc1cc(N2CCN(CC)CC2)cc(-c2ccccc2C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.39
PARP14 Q460N5 1/20 0.38
MITF O75030 2/20 0.38
BRD4 O60885 1/20 0.38
APAF1 O14727 2/20 0.37
CHRNA7 P36544 1/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNK O75909 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8627347 0.94 MITF (0.39) PARP14MITFBRD4APAF1CHRNA7
SCHEMBL8628439 0.93 CCNA2 (0.37) MITFBRD4APAF1CHRNA7CCNA2
Hydrochloric Acid SCHEMBL8625633 0.93 BRD4 (0.38) PARP14MITFBRD4APAF1CHRNA7
SCHEMBL8624540 0.91 PGAM1 (0.40) PGAM1PARP14MITFBRD4APAF1
SCHEMBL8628563 0.91 BRD4 (0.42) PGAM1PARP14BRD4AURKAKDR
SCHEMBL8629280 0.91 MITF (0.41) MITFBRD4APAF1CHRNA7CCNA2
SCHEMBL8627298 0.86 MITF (0.37) MITFAPAF1CHRNA7CCNA2CDK2
SCHEMBL8624605 0.85 BRD4 (0.47) PARP14BRD4AURKAKDR
SCHEMBL8624802 0.85 KDM2B (0.39) MITFBRD4APAF1CHRNA7DRD3
SCHEMBL8624900 0.84 APAF1 (0.38) MITFBRD4APAF1CHRNA7DRD3

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