SCHEMBL8946441

SCHEMBL8946441

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.48
NTRK3 Q16288 3/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NTRK2 Q16620 1/20 0.42
ANPEP P15144 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL8946563 0.89 NTRK1 (0.57) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946576 0.89 L3MBTL1 (0.51) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946567 0.89 NTRK1 (0.45) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946671 0.87 NTRK1 (0.48) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946624 0.87 NTRK1 (0.43) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946682 0.86 NTRK1 (0.45) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946507 0.86 NTRK1 (0.44) NTRK1MAPK1MEN1KMT2A
SCHEMBL8946564 0.85 NTRK1 (0.48) NTRK1NTRK3LMNANTRK2KMT2A
SCHEMBL8946363 0.83 NTRK1 (0.51) NTRK1NTRK3ALDH1A1LMNAMAPT
SCHEMBL8946498 0.82 NTRK1 (0.47) NTRK1NTRK3LMNAMAPTMEN1

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