SCHEMBL30908359

SCHEMBL30908359

NCc1ccc2ccc(Cl)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.48
NOS2 P35228 1/20 0.48
LOX P28300 1/20 0.47
LOXL3 P58215 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
NOS3 P29474 1/20 0.41
PNMT P11086 1/20 0.41
CSNK2A1 P68400 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ROCK1 Q13464 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
SCHEMBL22511690 0.82 NOS1 (0.65) NOS1NOS2NOS3
SCHEMBL13349521 0.80 RECQL (0.47) NOS1NOS3CSNK2A1CA12CA2
SCHEMBL12891556 0.80 CYP1A2 (0.45) NOS1NOS3CYP2A6
SCHEMBL1599287 0.80 NOS1 (0.38) NOS1NOS2NOS3
SCHEMBL27795596 0.79 HRH3 (0.50) NOS1NOS2LOXLOXL3LOXL2
SCHEMBL30908293 0.77 NOS1 (0.36) NOS1NOS2NOS3
SCHEMBL27956204 0.74 CA2 (0.50) CA2
SCHEMBL22933038 0.74 NOS1 (0.49) NOS1NOS2NOS3
SCHEMBL24954764 0.72 LMNA (0.60)
SCHEMBL22511767 0.72 NQO1 (0.44) NOS1NOS2LOXL2NOS3CA12

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed