SCHEMBL19873600

SCHEMBL19873600

C[C@@H](OC(=O)Nc1cc(F)sc1-c1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
NAAA Q02083 1/20 0.35
APP P05067 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KIT P10721 1/20 0.31
BRD2 P25440 1/20 0.30
ENPP2 Q13822 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL19873559 1.00 LPAR1 (0.37) LPAR1LPAR3NAAAAPPSLC6A2
SCHEMBL19873610 0.90 APP (0.34) LPAR1LPAR3NAAAAPP
SCHEMBL19873601 0.90 LPAR1 (0.38) LPAR1LPAR3NAAASLC6A2SLC6A4
SCHEMBL19873634 0.90 LPAR1 (0.38) LPAR1LPAR3NAAASLC6A2SLC6A4
SCHEMBL19873617 0.88 LPAR1 (0.48) LPAR1LPAR3NAAAAPP
SCHEMBL19873618 0.88 LPAR1 (0.48) LPAR1LPAR3NAAAAPP
SCHEMBL22260988 0.88 LPAR1 (0.40) LPAR1LPAR3NAAAAPPKIT
SCHEMBL22260989 0.88 LPAR1 (0.40) LPAR1LPAR3NAAAAPPKIT
SCHEMBL19873662 0.86 LPAR1 (0.39) LPAR1LPAR3NAAAAPP
SCHEMBL19873608 0.86 APP (0.38) LPAR1LPAR3NAAAAPPFFAR1

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