SCHEMBL8122191

SCHEMBL8122191

CC(C)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR1 P21554 7/20 0.45
LMNA P02545 2/20 0.45
CNR2 P34972 4/20 0.44
MCHR1 Q99705 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
RORC P51449 1/20 0.42
KDM1A O60341 1/20 0.42
PSMB5 P28074 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL28742149 0.93 POLB (0.47) POLBHTTNPSR1LMNAMCHR1
SCHEMBL27538508 0.92 LMNA (0.54) POLBHTTCNR1LMNACNR2
SCHEMBL8115002 0.91 POLB (0.45) POLBHTTNPSR1CNR1LMNA
SCHEMBL8118713 0.91 POLB (0.45) POLBHTTNPSR1LMNAMCHR1
SCHEMBL8118092 0.88 NLRP3 (0.46) POLBHTTNPSR1CNR1LMNA
SCHEMBL8113785 0.86 HTT (0.47) POLBHTTNPSR1LMNAMCHR1
SCHEMBL27513954 0.84 MRGPRX4 (0.44) POLBLMNAMCHR1ALDH1A1MAPT
SCHEMBL8114620 0.84 LMNA (0.48) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL8115188 0.84 THRB (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8113653 0.83 ALDH1A1 (0.44) POLBHTTNPSR1LMNAMCHR1

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
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed