SCHEMBL23620183

SCHEMBL23620183

CC(C)Oc1nccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 9/20 0.45
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
NR2E1 Q9Y466 2/20 0.43
RORA P35398 1/20 0.43
KCNJ6 P48051 1/20 0.41
P2RX4 Q99571 2/20 0.41
RORC P51449 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
NTRK1 P04629 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
SCHEMBL23620020 0.91 KCNJ5 (0.53) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23619970 0.90 ANO1 (0.44) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23619949 0.90 ANO1 (0.47) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23620187 0.89 ANO1 (0.43) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL24714040 0.87 RORA (0.44) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23619738 0.86 KCNJ5 (0.48) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23620012 0.86 ANO1 (0.47) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23620015 0.85 MAPK8 (0.49) ANO1NR2E1RORAP2RX4MAPK8
SCHEMBL23620189 0.85 NR2E1 (0.49) ANO1KCNJ5KCNJ3NR2E1RORA
SCHEMBL23619947 0.85 P2RX4 (0.47) ANO1KCNJ5KCNJ3NR2E1RORA

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