SCHEMBL8946585

SCHEMBL8946585

Cc1cccc(C(C)C)c1NC(=O)Nc1c(C)nc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
PYGL P06737 4/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CXCL8 P10145 1/20 0.39
MAPK1 P28482 1/20 0.38
LCK P06239 1/20 0.38
CTSA P10619 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
NLRP3 Q96P20 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8946714 0.95 LMNA (0.43) KMT2ALMNAL3MBTL1NPSR1
SCHEMBL8946420 0.87 L3MBTL1 (0.47) PYGLCXCL8L3MBTL1
SCHEMBL8946710 0.83 HTT (0.47) KMT2ALMNAMAPK1LCKL3MBTL1
SCHEMBL8946618 0.80 L3MBTL1 (0.51) KMT2ALMNAL3MBTL1
SCHEMBL8946825 0.79 DHODH (0.41) KMT2AMAPK1L3MBTL1
SCHEMBL8946617 0.78 L3MBTL1 (0.53) PYGLL3MBTL1
SCHEMBL8952284 0.77 KDR (0.44) KDRKMT2ALMNAMAPK1L3MBTL1
SCHEMBL8946535 0.76 SMN1; SMN2 (0.47) KMT2AMAPK1MEN1
SCHEMBL8946406 0.76 LPAR1 (0.47) KMT2ALMNA
SCHEMBL8823125 0.75 NTRK1 (0.39) KMT2ALMNAL3MBTL1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7101940-A None JP disclosed
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
JP-H07101940-A PYRIMIDINE AND PYRIDINE DERIVATIVES AND PRODUCTION AND USE THEREOF NIPPON NOHYAKU CO LTD 1995-04-18 JP 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