SCHEMBL8946498

SCHEMBL8946498

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.47
ADORA1 P30542 1/20 0.46
NTRK3 Q16288 2/20 0.43
MAPK14 Q16539 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK2 O96017 1/20 0.40
CYP3A4 P08684 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL8946363 0.91 NTRK1 (0.51) NTRK1ADORA1NTRK3CYP2C9CYP1A2
SCHEMBL8946563 0.90 NTRK1 (0.57) NTRK1NTRK3CYP2C9CYP1A2CYP2C19
SCHEMBL8946576 0.86 L3MBTL1 (0.51) NTRK1NTRK3CYP2C9CYP1A2CYP2C19
SCHEMBL8946571 0.85 LPAR1 (0.50) NTRK1ADORA1NTRK3CYP2C9CYP1A2
SCHEMBL8946713 0.83 L3MBTL1 (0.41) NTRK1ADORA1
SCHEMBL8946441 0.82 NTRK1 (0.48) NTRK1NTRK3MAPK14LMNAMEN1
SCHEMBL8946567 0.82 NTRK1 (0.45) NTRK1NTRK3CYP2C9CYP1A2CYP2C19
SCHEMBL8946624 0.80 NTRK1 (0.43) NTRK1NTRK3CYP1A2LMNAMAPT
SCHEMBL8946671 0.80 NTRK1 (0.48) NTRK1NTRK3LMNAMEN1MAPT
SCHEMBL8946682 0.79 NTRK1 (0.45) NTRK1NTRK3CYP2C9LMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed