SCHEMBL31473755

SCHEMBL31473755

CC1COCCC1c1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.44
STS P08842 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
S100A4 P26447 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
GSR P00390 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
PKM P14618 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL6521534 0.74 GPR35 (0.46) GPR35STSTSHRS100A4TDP1
SCHEMBL30698936 0.73 MAPK1 (0.42) GPR35SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL27037906 0.73 MAPK1 (0.42) GPR35SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL28687501 0.73 GPR35 (0.42) GPR35S100A4MAPTMEN1GAA
SCHEMBL19899567 0.73 GPR35 (0.55) GPR35STSTSHRS100A4TDP1
SCHEMBL2045458 0.70 GPR35 (0.45) GPR35STSS100A4TDP1ALDH1A1
SCHEMBL70533 0.66 GPR35 (0.75) GPR35TSHRS100A4TDP1ALDH1A1
Fluoride SCHEMBL8639543 0.65 GPR35 (0.96) GPR35SMN1; SMN2TSHRS100A4TDP1
SCHEMBL31727297 0.64 KMT2A (0.33) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL9100928 0.64 ACHE (0.37) SMN1; SMN2TDP1ALDH1A1MAPTMEN1

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-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed