SCHEMBL23619949

SCHEMBL23619949

COc1nccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 8/20 0.47
RORA P35398 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
KCNJ6 P48051 1/20 0.43
P2RX4 Q99571 3/20 0.42
CSNK1D P48730 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL23620062 0.91 ANO1 (0.48) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23620015 0.91 MAPK8 (0.49) ANO1RORANR2E1ROCK2ROCK1
SCHEMBL23620183 0.90 ANO1 (0.45) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619780 0.90 RECQL (0.53) ANO1NR2E1ROCK2
SCHEMBL24714040 0.90 RORA (0.44) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619970 0.89 ANO1 (0.44) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619738 0.89 KCNJ5 (0.48) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23620098 0.88 RECQL (0.43) ANO1RORANR2E1ROCK2ROCK1
SCHEMBL24713270 0.88 RECQL (0.45) ANO1ROCK2P2RX4
SCHEMBL23620189 0.87 NR2E1 (0.49) ANO1RORANR2E1KCNJ5KCNJ3

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-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed