SCHEMBL8946671

SCHEMBL8946671

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1SC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.48
NTRK3 Q16288 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NTRK2 Q16620 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PYGL P06737 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 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
SCHEMBL8946441 0.87 NTRK1 (0.48) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946563 0.86 NTRK1 (0.57) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946757 0.86 NTRK1 (0.48) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946567 0.86 NTRK1 (0.45) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946576 0.86 L3MBTL1 (0.51) NTRK1NTRK3KMT2ANTRK2MAPT
SCHEMBL8946624 0.84 NTRK1 (0.43) NTRK1NTRK3KMT2AMAPTALDH1A1
SCHEMBL8946507 0.83 NTRK1 (0.44) NTRK1MEN1KMT2AMAPK1
SCHEMBL8946682 0.82 NTRK1 (0.45) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946363 0.81 NTRK1 (0.51) NTRK1NTRK3MEN1KMT2ANTRK2
SCHEMBL8946498 0.80 NTRK1 (0.47) NTRK1NTRK3MEN1KMT2AMAPT

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