SCHEMBL31607262

SCHEMBL31607262

CN1Cc2cn(C)nc2-c2cccc([N+](=O)[O-])c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 7/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
S100A4 P26447 1/20 0.36
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.35
HSD11B1 P28845 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL25897398 1.00 DRD4 (0.43) DRD4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29766722 0.87 DRD4 (0.41) DRD4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30696897 0.83 ALDH1A1 (0.38) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL26677568 0.83 ALDH1A1 (0.38) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL29865871 0.81 PDE10A (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30697029 0.80 TDP1 (0.34) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29866372 0.79 GAA (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL25573065 0.79 GAA (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30697023 0.79 MAPT (0.31) CYP1A2CYP2C9CYP2C19MAPTGAA
SCHEMBL30703395 0.78 DRD4 (0.47) DRD4ALDH1A1MAPTKMT2ARECQL

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
CN-120092004-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2025-06-03 CN disclosed