SCHEMBL8946507

SCHEMBL8946507

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.44
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
DPP4 P27487 1/20 0.41
DDX3X O00571 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL8946567 0.87 NTRK1 (0.45) NTRK1POLBMAPK1KDM4EMEN1
SCHEMBL8946460 0.86 NTRK1 (0.43) NTRK1KMT2A
SCHEMBL8946441 0.86 NTRK1 (0.48) NTRK1MAPK1MEN1KMT2A
SCHEMBL8946563 0.86 NTRK1 (0.57) NTRK1MAPK1MEN1KMT2A
SCHEMBL8946576 0.85 L3MBTL1 (0.51) NTRK1MAPK1KMT2A
SCHEMBL8946671 0.83 NTRK1 (0.48) NTRK1MAPK1MEN1KMT2A
SCHEMBL8946624 0.83 NTRK1 (0.43) NTRK1MAPK1TP53DPP4KDM4E
SCHEMBL8946682 0.81 NTRK1 (0.45) NTRK1MAPK1TP53MEN1KMT2A
SCHEMBL8946363 0.80 NTRK1 (0.51) NTRK1POLBMAPK1MEN1KMT2A
SCHEMBL8946547 0.80 L3MBTL1 (0.49) NTRK1POLBMAPK1TP53DDX3X

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