SCHEMBL8946455

SCHEMBL8946455

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.56
NTRK3 Q16288 3/20 0.51
LPAR1 Q92633 4/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NTRK2 Q16620 1/20 0.43

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
SCHEMBL8946725 0.94 NTRK1 (0.50) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946571 0.91 LPAR1 (0.50) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946564 0.90 NTRK1 (0.48) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946618 0.89 L3MBTL1 (0.51) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946473 0.89 NTRK1 (0.45) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946757 0.88 NTRK1 (0.48) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946752 0.88 LPAR1 (0.59) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946460 0.87 NTRK1 (0.43) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946762 0.87 NTRK1 (0.45) NTRK1NTRK3LPAR1KMT2ALMNA
SCHEMBL8946456 0.86 LPAR1 (0.50) NTRK1LPAR1KMT2ALMNA

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