SCHEMBL8946582

SCHEMBL8946582

Cc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(-c2ccccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
NTRK1 P04629 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
P2RY1 P47900 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCL8 P10145 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL8946406 0.86 LPAR1 (0.47) LPAR1SMN1; SMN2P2RY1LMNAKMT2A
SCHEMBL8946359 0.84 NTRK1 (0.53) LPAR1NTRK1KMT2A
SCHEMBL8946668 0.82 LPAR1 (0.47) LPAR1SMN1; SMN2NTRK1P2RY1LMNA
SCHEMBL8946733 0.81 LPAR1 (0.46) LPAR1
SCHEMBL8946794 0.81 LPAR1 (0.45) LPAR1
SCHEMBL8946569 0.81 LPAR1 (0.46) LPAR1SMN1; SMN2NTRK1P2RY1LMNA
SCHEMBL8823066 0.80 NTRK1 (0.51) LPAR1SMN1; SMN2NTRK1LMNAKMT2A
SCHEMBL8946618 0.80 L3MBTL1 (0.51) LPAR1NTRK1LMNAKMT2A
SCHEMBL8946592 0.79 LPAR1 (0.47) LPAR1SMN1; SMN2P2RY1NLRP3
SCHEMBL8946714 0.78 LMNA (0.43) LPAR1SMN1; SMN2NPSR1LMNAKMT2A

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