SCHEMBL8624540

SCHEMBL8624540

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.40
BRD4 O60885 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
APAF1 O14727 1/20 0.37
KMT2A Q03164 2/20 0.37
CNR2 P34972 2/20 0.37
CHRNA7 P36544 1/20 0.37
PARP14 Q460N5 1/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MITF O75030 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
SCHEMBL8624802 0.94 KDM2B (0.39) BRD4KDM2BAPAF1KMT2ACNR2
SCHEMBL8630282 0.91 PGAM1 (0.39) PGAM1BRD4APAF1CHRNA7PARP14
SCHEMBL8625656 0.91 PGAM1 (0.41) PGAM1BRD4CNR2PARP14CNR1
SCHEMBL8626684 0.91 CHRNA7 (0.41) KDM2BAPAF1KMT2ACNR2CHRNA7
SCHEMBL8626990 0.85 KDM2B (0.37) KDM2BAPAF1KMT2ACNR2CHRNA7
SCHEMBL8627347 0.85 MITF (0.39) BRD4APAF1CHRNA7PARP14MITF
SCHEMBL8624900 0.85 APAF1 (0.38) BRD4APAF1KMT2ACHRNA7MITF
SCHEMBL8625881 0.85 BRD4 (0.45) BRD4CNR2CNR1
SCHEMBL8628439 0.85 CCNA2 (0.37) BRD4APAF1CHRNA7LMNAMITF
Hydrochloric Acid SCHEMBL8625633 0.84 BRD4 (0.38) BRD4APAF1CHRNA7PARP14MITF

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