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Sugi Predict / Compounds / SCHEMBL19873643

SCHEMBL19873643

SCHEMBL19873643

COc1cc(-c2sc(Cl)cc2NC(=O)OC(C)c2ccccc2Cl)ccc1-c1ccc(C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 11/20 0.41
▸ ROCK2 O75116 5/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ ENPP2 Q13822 4/20 0.39
▸ LPAR3 Q9UBY5 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
SCHEMBL19873642 1.00 LPAR1 (0.41) LPAR1ROCK2ROCK1ENPP2LPAR3
SCHEMBL19873575 0.93 LPAR1 (0.43) LPAR1ROCK2ROCK1ENPP2LPAR3
SCHEMBL19873578 0.93 LPAR1 (0.43) LPAR1ROCK2ROCK1ENPP2LPAR3
SCHEMBL19873573 0.93 ROCK2 (0.34) LPAR1ROCK2ROCK1ENPP2LPAR3
SCHEMBL19873571 0.93 ROCK2 (0.34) LPAR1ROCK2ROCK1ENPP2LPAR3
SCHEMBL19873557 0.92 LPAR1 (0.38) LPAR1ROCK2ROCK1LPAR3
SCHEMBL19873556 0.92 LPAR1 (0.38) LPAR1ROCK2ROCK1LPAR3
SCHEMBL19873589 0.91 LPAR1 (0.40) LPAR1
SCHEMBL19873591 0.91 LPAR1 (0.40) LPAR1
SCHEMBL19873582 0.90 JAK2 (0.40) LPAR1

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
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 — — EP claimed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 — — EP claimed