SCHEMBL23619970

SCHEMBL23619970

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 8/20 0.44
RORA P35398 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
KCNJ5 P48544 5/20 0.41
KCNJ3 P48549 5/20 0.41
P2RX4 Q99571 3/20 0.40
KCNJ6 P48051 2/20 0.40
NTRK1 P04629 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL23620187 0.91 ANO1 (0.43) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23620183 0.90 ANO1 (0.45) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619949 0.89 ANO1 (0.47) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL24714040 0.88 RORA (0.44) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23620020 0.86 KCNJ5 (0.53) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619738 0.85 KCNJ5 (0.48) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23620012 0.85 ANO1 (0.47) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL23619923 0.85 P2RX4 (0.54) P2RX4
SCHEMBL23620005 0.85 P2RX4 (0.49) ANO1RORANR2E1KCNJ5KCNJ3
SCHEMBL30812875 0.85 P2RX4 (0.54) P2RX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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