SCHEMBL8946473

SCHEMBL8946473

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.45
LPAR1 Q92633 3/20 0.45
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
NTRK3 Q16288 2/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
MEN1 O00255 3/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NTRK2 Q16620 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
SCHEMBL8946455 0.89 NTRK1 (0.56) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946564 0.89 NTRK1 (0.48) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946618 0.88 L3MBTL1 (0.51) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946460 0.87 NTRK1 (0.43) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946757 0.86 NTRK1 (0.48) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946752 0.86 LPAR1 (0.59) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946567 0.86 NTRK1 (0.45) NTRK1KMT2ALMNANTRK3MEN1
SCHEMBL8946725 0.84 NTRK1 (0.50) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946762 0.83 NTRK1 (0.45) NTRK1LPAR1KMT2ALMNANTRK3
SCHEMBL8946571 0.83 LPAR1 (0.50) NTRK1LPAR1KMT2ALMNANTRK3

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