SCHEMBL8946420

SCHEMBL8946420

Cc1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NTRK1 P04629 6/20 0.44
PYGL P06737 7/20 0.42
CXCL8 P10145 1/20 0.41
NTRK3 Q16288 2/20 0.41
LPAR1 Q92633 1/20 0.40
NTRK2 Q16620 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
SCHEMBL8946618 0.94 L3MBTL1 (0.51) L3MBTL1NTRK1NTRK3LPAR1NTRK2
SCHEMBL8946617 0.92 L3MBTL1 (0.53) L3MBTL1NTRK1PYGLNTRK3NTRK2
SCHEMBL8946564 0.89 NTRK1 (0.48) NTRK1NTRK3LPAR1NTRK2
SCHEMBL8946585 0.87 KDR (0.40) L3MBTL1PYGLCXCL8
SCHEMBL8946504 0.86 L3MBTL1 (0.47) L3MBTL1NTRK1PYGLNTRK3NTRK2
SCHEMBL8946589 0.86 L3MBTL1 (0.49) L3MBTL1NTRK1PYGLNTRK3
SCHEMBL8946655 0.86 LPAR1 (0.46) L3MBTL1NTRK1LPAR1
SCHEMBL8946456 0.85 LPAR1 (0.50) L3MBTL1NTRK1LPAR1
SCHEMBL8946728 0.84 L3MBTL1 (0.51) L3MBTL1NTRK1PYGLNTRK3NTRK2
SCHEMBL8946455 0.84 NTRK1 (0.56) NTRK1NTRK3LPAR1NTRK2

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