SCHEMBL8946571

SCHEMBL8946571

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.50
NTRK1 P04629 6/20 0.46
NTRK3 Q16288 2/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL8946725 0.91 NTRK1 (0.50) LPAR1NTRK1NTRK3LMNAKMT2A
SCHEMBL8946455 0.91 NTRK1 (0.56) LPAR1NTRK1NTRK3LMNAKMT2A
SCHEMBL8946456 0.89 LPAR1 (0.50) LPAR1NTRK1LMNAKMT2ACYP1A2
SCHEMBL8946618 0.87 L3MBTL1 (0.51) LPAR1NTRK1NTRK3LMNAKMT2A
SCHEMBL8946498 0.85 NTRK1 (0.47) NTRK1NTRK3LMNAKMT2ACYP1A2
SCHEMBL8946655 0.84 LPAR1 (0.46) LPAR1NTRK1LMNAKMT2A
SCHEMBL8946564 0.84 NTRK1 (0.48) LPAR1NTRK1NTRK3LMNAKMT2A
SCHEMBL8946473 0.83 NTRK1 (0.45) LPAR1NTRK1NTRK3LMNAKMT2A
SCHEMBL8946420 0.82 L3MBTL1 (0.47) LPAR1NTRK1NTRK3
SCHEMBL8946757 0.81 NTRK1 (0.48) LPAR1NTRK1NTRK3LMNAKMT2A

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