SCHEMBL23619627

SCHEMBL23619627

NSc1cc(NC(=O)Cc2ccccc2Cl)cc2c(OCc3ccc(P)cc3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.44
ANO1 Q5XXA6 8/20 0.41
KCNJ5 P48544 3/20 0.39
KCNJ3 P48549 3/20 0.39
RORA P35398 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
NR1I2 O75469 1/20 0.38
RORC P51449 1/20 0.38
MAPK8 P45983 1/20 0.37

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
SCHEMBL24714040 0.86 RORA (0.44) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23619949 0.85 ANO1 (0.47) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23619970 0.83 ANO1 (0.44) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23619738 0.83 KCNJ5 (0.48) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23620005 0.83 P2RX4 (0.49) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23620020 0.82 KCNJ5 (0.53) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23620183 0.82 ANO1 (0.45) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23620187 0.82 ANO1 (0.43) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23619947 0.82 P2RX4 (0.47) P2RX4ANO1KCNJ5KCNJ3RORA
SCHEMBL23620000 0.81 ANO1 (0.48) P2RX4ANO1KCNJ5KCNJ3RORA

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