SCHEMBL19873614

SCHEMBL19873614

COc1cc(-c2sc(Cl)cc2NC(=O)OC(C)c2ccc(F)cc2F)ccc1-c1ccc(C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.36
CHRM3 P20309 13/20 0.36
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
APP P05067 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
JAK2 O60674 1/20 0.33
CTSA P10619 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL19873611 1.00 LPAR1 (0.36) LPAR1CHRM3CHRM2CHRM1APP
SCHEMBL19873589 0.94 LPAR1 (0.40) LPAR1CHRM3CHRM2CHRM1KDM1A
SCHEMBL19873639 0.94 CHRM3 (0.37) LPAR1CHRM3CHRM2CHRM1APP
SCHEMBL19873591 0.94 LPAR1 (0.40) LPAR1CHRM3CHRM2CHRM1KDM1A
SCHEMBL19873640 0.94 CHRM3 (0.37) LPAR1CHRM3CHRM2CHRM1APP
SCHEMBL19873566 0.93 LPAR1 (0.36) LPAR1CHRM3CHRM2CHRM1KDM1A
SCHEMBL19873582 0.93 JAK2 (0.40) LPAR1CHRM3CHRM2CHRM1KDM1A
SCHEMBL19873549 0.93 CHRM3 (0.35) LPAR1CHRM3CHRM2CHRM1APP
SCHEMBL19873552 0.93 CHRM3 (0.35) LPAR1CHRM3CHRM2CHRM1APP
SCHEMBL19873576 0.91 LPAR1 (0.36) LPAR1CHRM3CHRM2CHRM1KDM1A

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