SCHEMBL31470133

SCHEMBL31470133

COC(=O)c1c(Cl)cc(Cl)c(O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
COMT P21964 2/20 0.47
TSHR P16473 2/20 0.42
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
NR1H4 Q96RI1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL7902778 1.00 SMN1; SMN2 (0.49) SMN1; SMN2COMTTSHRGPR35ALDH1A1
SCHEMBL608700 0.83 SMN1; SMN2 (0.64) SMN1; SMN2COMTTSHRALDH1A1TDP1
SCHEMBL610592 0.80 TSHR (0.47) TSHRGPR35ALDH1A1CA1CA2
SCHEMBL11217561 0.80 SMN1; SMN2 (0.47) SMN1; SMN2COMTTSHRALDH1A1TDP1
SCHEMBL3239188 0.79 TSHR (0.46) SMN1; SMN2TSHRGPR35ALDH1A1TDP1
SCHEMBL9132988 0.77 TSHR (0.60) SMN1; SMN2TSHRGPR35ALDH1A1TDP1
SCHEMBL5787676 0.77 NR1H4 (0.52) SMN1; SMN2GPR35ALDH1A1TDP1NR1H4
SCHEMBL3667323 0.75 COMT (0.44) SMN1; SMN2COMTTSHRALDH1A1TDP1
SCHEMBL11867413 0.75 GPR35 (0.43) SMN1; SMN2COMTTSHRGPR35ALDH1A1
SCHEMBL7412641 0.74 COMT (0.49) SMN1; SMN2COMTTSHRALDH1A1TDP1

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-2025059726-A1 NOVEL THERAPY Alterity Therapeutics Limited (AU) 2025-03-27 WO disclosed