SCHEMBL20889366

SCHEMBL20889366

Cc1c(C#N)ccc(F)c1C(C)C(N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.36
CHRM2 P08172 5/20 0.35
CHRM1 P11229 5/20 0.35
RRM1 P23921 5/20 0.35
RRM2B Q7LG56 5/20 0.35
LRRK2 Q5S007 1/20 0.33
S1PR3 Q99500 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
S1PR1 P21453 1/20 0.31
TRPA1 O75762 1/20 0.31
SLC7A5 Q01650 1/20 0.31
PGR P06401 1/20 0.30
CYP11B2 P19099 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
SCHEMBL19682367 1.00 AR (0.36) ARCHRM2CHRM1RRM1RRM2B
SCHEMBL19682581 0.84 SLC7A5 (0.38) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL20889297 0.84 SLC7A5 (0.38) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL19682547 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL19682386 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL30298149 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL19682740 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL19682377 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
SCHEMBL19682546 0.81 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3
Hydrochloric Acid SCHEMBL30821884 0.80 CHRM2 (0.36) CHRM2CHRM1RRM1RRM2BSLC1A3

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-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed