SCHEMBL8946569

SCHEMBL8946569

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.46
CXCL8 P10145 1/20 0.41
P2RY1 P47900 2/20 0.40
PDE4B Q07343 1/20 0.40
NTRK1 P04629 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL8946359 0.87 NTRK1 (0.53) LPAR1NTRK1KMT2A
SCHEMBL8946668 0.87 LPAR1 (0.47) LPAR1P2RY1NTRK1LMNAKMT2A
SCHEMBL8946397 0.85 S1PR4 (0.39) NTRK1LMNAMAPK14
SCHEMBL8946618 0.84 L3MBTL1 (0.51) LPAR1NTRK1LMNAKMT2A
SCHEMBL8946592 0.84 LPAR1 (0.47) LPAR1P2RY1SMN1; SMN2
SCHEMBL8946655 0.82 LPAR1 (0.46) LPAR1P2RY1NTRK1LMNAKMT2A
SCHEMBL8946575 0.81 MEN1 (0.43) LPAR1LMNAKMT2A
SCHEMBL8946495 0.81 MEN1 (0.42) LPAR1LMNAKMT2A
SCHEMBL8946582 0.81 LPAR1 (0.50) LPAR1CXCL8P2RY1NTRK1LMNA
SCHEMBL8946790 0.80 CDK9 (0.42) LPAR1

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