SCHEMBL8946456

SCHEMBL8946456

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.50
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NTRK1 P04629 3/20 0.42
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CNR1 P21554 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RY1 P47900 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KMT2A Q03164 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
SCHEMBL8946618 0.90 L3MBTL1 (0.51) LPAR1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8946571 0.89 LPAR1 (0.50) LPAR1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8946725 0.88 NTRK1 (0.50) LPAR1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8946455 0.86 NTRK1 (0.56) LPAR1LMNANTRK1KMT2A
SCHEMBL8946655 0.86 LPAR1 (0.46) LPAR1LMNANTRK1S1PR4S1PR5
SCHEMBL8946420 0.85 L3MBTL1 (0.47) LPAR1NTRK1L3MBTL1
SCHEMBL8946564 0.83 NTRK1 (0.48) LPAR1LMNANTRK1KMT2A
SCHEMBL8946473 0.82 NTRK1 (0.45) LPAR1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8946752 0.81 LPAR1 (0.59) LPAR1LMNANTRK1KMT2A
SCHEMBL8946757 0.81 NTRK1 (0.48) LPAR1LMNANTRK1KMT2A

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