SCHEMBL14980656

SCHEMBL14980656

N#Cc1ccc(C(N)CS)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.43
CYP19A1 P11511 7/20 0.40
CYP2A6 P11509 2/20 0.39
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 1/20 0.37
ENPEP Q07075 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5900978 0.79 LOXL2 (0.43) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL15157661 0.79 SLC6A4 (0.52) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL8514968 0.79 LOXL2 (0.43) LOXL2CYP19A1CYP2A6CA2ALDH1A1
Hydrochloric Acid SCHEMBL28699275 0.79 LOXL2 (0.48) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL14448531 0.79 LOXL2 (0.43) LOXL2CYP19A1CYP2A6CA2ALDH1A1
Hydrochloric Acid SCHEMBL7649730 0.78 LOXL2 (0.42) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL29003420 0.77 CYP19A1 (0.41) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL391676 0.76 LOXL2 (0.41) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL27858315 0.76 SCN10A (0.44) LOXL2CYP19A1CYP2A6CA2ALDH1A1
SCHEMBL391675 0.76 LOXL2 (0.41) LOXL2CYP19A1CYP2A6CA2ALDH1A1

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-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed