SCHEMBL8624822

SCHEMBL8624822

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
CSF1R P07333 1/20 0.41
RAD52 P43351 2/20 0.40
TACR1 P25103 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 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
SCHEMBL8624605 0.93 BRD4 (0.47) BRD4CSF1RRAD52TACR1TDP2
SCHEMBL8628563 0.91 BRD4 (0.42) BRD4CSF1RRAD52TACR1DRD2
SCHEMBL8629280 0.90 MITF (0.41) BRD4RAD52GAAHTR6DRD2
SCHEMBL8625789 0.90 BRD4 (0.43) BRD4TDP2NSD2PLA2G1BATG4B
SCHEMBL8627347 0.83 MITF (0.39) BRD4RAD52GAA
SCHEMBL8625881 0.83 BRD4 (0.45) BRD4TDP2NSD2PLA2G1BATG4B
Hydrochloric Acid SCHEMBL8625633 0.83 BRD4 (0.38) BRD4RAD52GAA
SCHEMBL8630282 0.82 PGAM1 (0.39) BRD4
SCHEMBL8625656 0.81 PGAM1 (0.41) BRD4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8628439 0.81 CCNA2 (0.37) BRD4RAD52GAAHTR6DRD2

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