SCHEMBL8628563

SCHEMBL8628563

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
PGAM1 P18669 1/20 0.40
PARP14 Q460N5 1/20 0.39
CSF1R P07333 1/20 0.39
FLT3 P36888 1/20 0.37
RAD52 P43351 2/20 0.37
TACR1 P25103 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
DRD2 P14416 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
SCHEMBL8624605 0.94 BRD4 (0.47) BRD4PARP14CSF1RFLT3RAD52
SCHEMBL8630282 0.91 PGAM1 (0.39) BRD4PGAM1PARP14AURKAKDR
SCHEMBL8625656 0.91 PGAM1 (0.41) BRD4PGAM1PARP14FLT3AURKA
SCHEMBL8624822 0.91 BRD4 (0.44) BRD4CSF1RRAD52TACR1DRD2
SCHEMBL8627347 0.85 MITF (0.39) BRD4PARP14RAD52
SCHEMBL8625881 0.85 BRD4 (0.45) BRD4FLT3AURKAKDR
SCHEMBL8628439 0.85 CCNA2 (0.37) BRD4RAD52DRD2
Hydrochloric Acid SCHEMBL8625633 0.84 BRD4 (0.38) BRD4PARP14RAD52
SCHEMBL8624540 0.82 PGAM1 (0.40) BRD4PGAM1PARP14
SCHEMBL8629280 0.82 MITF (0.41) BRD4RAD52DRD2

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