SCHEMBL31712857

SCHEMBL31712857

NC(=O)c1ccc2ncc3c(c2c1)OCC3

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PARP1 P09874 2/20 0.40
PDE5A O76074 1/20 0.40
IP6K1 Q92551 1/20 0.39
NNMT P40261 3/20 0.38
CHEK2 O96017 5/20 0.37
APP P05067 1/20 0.36
CHEK1 O14757 2/20 0.36
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PI4K2A Q9BTU6 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL31712880 0.79 PARP1 (0.39) TSHRPARP1NNMTCHEK1PDE4B
SCHEMBL31712852 0.77 IP6K1 (0.36) TSHRPDE5AIP6K1NNMTCHEK2
SCHEMBL31712871 0.76 NNMT (0.40) PDE5AIP6K1NNMTCHEK2SMN1; SMN2
SCHEMBL29685869 0.75 IP6K1 (0.39) TSHRPARP1PDE5AIP6K1NNMT
SCHEMBL26918319 0.75 IP6K1 (0.39) TSHRPARP1PDE5AIP6K1NNMT
SCHEMBL30427718 0.68 NNMT (0.51) TSHRPARP1NNMTCHEK2CHEK1
SCHEMBL6282473 0.68 NNMT (0.51) TSHRPARP1NNMTCHEK2CHEK1
SCHEMBL31712865 0.68 IP6K1 (0.42) PDE5AIP6K1NNMTCHEK2APP
SCHEMBL29503137 0.67 PRKCI (0.69) TSHRPRKCI
SCHEMBL4320180 0.67 TSHR (0.68) TSHRPARP1SMN1; SMN2PIK3CDPIK3CA

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
EP-4251624-B1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC (US) 2025-10-29 EP claimed