SCHEMBL19873624

SCHEMBL19873624

COc1cc(-c2sc(F)cc2NC(=O)OC(C)c2cc(F)ccc2Cl)ccc1-c1ccc(C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
LPAR1 Q92633 1/20 0.38
CHRM3 P20309 13/20 0.36
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL19873661 0.94 LPAR1 (0.39) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873664 0.94 LPAR1 (0.39) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873582 0.94 JAK2 (0.40) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873627 0.93 CHRM3 (0.35) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873629 0.93 CHRM3 (0.35) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873575 0.92 LPAR1 (0.43) LPAR1CHRM3
SCHEMBL19873578 0.92 LPAR1 (0.43) LPAR1CHRM3
SCHEMBL19873616 0.92 CHRM3 (0.34) JAK2LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873552 0.91 CHRM3 (0.35) LPAR1CHRM3CHRM2CHRM1
SCHEMBL19873549 0.91 CHRM3 (0.35) LPAR1CHRM3CHRM2CHRM1

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