SCHEMBL8946592

SCHEMBL8946592

CCOc1ncc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(-c2ccccc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RY1 P47900 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL8946580 0.89 NPC1 (0.41) SMN1; SMN2KDM4EMAPT
SCHEMBL8946668 0.85 LPAR1 (0.47) LPAR1SMN1; SMN2P2RY1
SCHEMBL8946359 0.85 NTRK1 (0.53) LPAR1
SCHEMBL8946569 0.84 LPAR1 (0.46) LPAR1SMN1; SMN2P2RY1
SCHEMBL8946618 0.83 L3MBTL1 (0.51) LPAR1
SCHEMBL8946655 0.80 LPAR1 (0.46) LPAR1P2RY1
SCHEMBL8946575 0.80 MEN1 (0.43) LPAR1MAPT
SCHEMBL8946495 0.79 MEN1 (0.42) LPAR1MAPT
SCHEMBL8946582 0.79 LPAR1 (0.50) LPAR1NLRP3SMN1; SMN2P2RY1
SCHEMBL8946790 0.78 CDK9 (0.42) LPAR1MAPT

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