SCHEMBL8946618

SCHEMBL8946618

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
NTRK1 P04629 6/20 0.45
LPAR1 Q92633 4/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
NTRK3 Q16288 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NTRK2 Q16620 1/20 0.39
CNR1 P21554 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
SCHEMBL8946420 0.94 L3MBTL1 (0.47) L3MBTL1NTRK1LPAR1NTRK3NTRK2
SCHEMBL8946655 0.91 LPAR1 (0.46) L3MBTL1NTRK1LPAR1LMNAKMT2A
SCHEMBL8946456 0.90 LPAR1 (0.50) L3MBTL1NTRK1LPAR1LMNAKMT2A
SCHEMBL8946455 0.89 NTRK1 (0.56) NTRK1LPAR1LMNAKMT2ANTRK3
SCHEMBL8946564 0.89 NTRK1 (0.48) NTRK1LPAR1LMNAKMT2ANTRK3
SCHEMBL8946473 0.88 NTRK1 (0.45) L3MBTL1NTRK1LPAR1LMNAKMT2A
SCHEMBL8946725 0.88 NTRK1 (0.50) NTRK1LPAR1LMNAKMT2ANTRK3
SCHEMBL8946617 0.88 L3MBTL1 (0.53) L3MBTL1NTRK1NTRK3NTRK2
SCHEMBL8946571 0.87 LPAR1 (0.50) NTRK1LPAR1LMNAKMT2ANTRK3
SCHEMBL8946668 0.86 LPAR1 (0.47) NTRK1LPAR1LMNAKMT2A

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