SCHEMBL8946682

SCHEMBL8946682

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccsc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.45
NTRK3 Q16288 3/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
NTRK2 Q16620 1/20 0.38
ANPEP P15144 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PLK4 O00444 1/20 0.36
CHEK2 O96017 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 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
SCHEMBL8946762 0.86 NTRK1 (0.45) NTRK1NTRK3MAPTLMNANTRK2
SCHEMBL8946441 0.86 NTRK1 (0.48) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946563 0.86 NTRK1 (0.57) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946567 0.83 NTRK1 (0.45) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946576 0.83 L3MBTL1 (0.51) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946624 0.82 NTRK1 (0.43) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946671 0.82 NTRK1 (0.48) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946507 0.81 NTRK1 (0.44) NTRK1MAPK1TP53MEN1KMT2A
SCHEMBL8946363 0.80 NTRK1 (0.51) NTRK1NTRK3ALDH1A1MAPTLMNA
SCHEMBL8946498 0.79 NTRK1 (0.47) NTRK1NTRK3MAPTLMNAGAA

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