SCHEMBL9196811

SCHEMBL9196811

Cc1cc(O)c([N+](=O)[O-])cc1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
GPR35 Q9HC97 4/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX12 P18054 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 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
SCHEMBL9406351 0.85 LMNA (0.38) GPR35ALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7027716 0.82 GPR35 (0.46) CA12CA1CA2CA9GPR35
SCHEMBL11645041 0.81 TSHR (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL9195019 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2HPGDALOX15
SCHEMBL9023831 0.81 VCAM1 (0.42) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL2947055 0.80 ALDH1A1 (0.49) GPR35ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL11641588 0.77 POLB (0.46) ALDH1A1SMN1; SMN2TP53HPGDL3MBTL1
SCHEMBL9271778 0.76 GABRA1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL3016852 0.76 CA12 (0.45) CA12CA1CA2CA9GPR35
SCHEMBL62337 0.75 GPR35 (0.54) CA12CA1CA2CA9GPR35

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410471-B1 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORP (JP) 1995-05-17 EP disclosed
US-5104414-A 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORPORATION (JP) 1992-04-14 US disclosed
US-5015260-A Hair dyes for reaction with developer KAO CORPORATION (JP) 1991-05-14 US disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed
US-4055428-A COLO PHOTOGRAPHY, DIFFUSION TRANSFER SILVER HALIDE EMULSIONS FUJI PHOTO FILM CO., LTD. (JA) 1977-10-25 US disclosed
US-4055592-A ATHEROSCLEROSIS MERCK & CO., INC. (US) 1977-10-25 US disclosed