SCHEMBL9021271

SCHEMBL9021271

COc1cc(N(CCO)CCO)ccc1N=Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 5/20 0.53
CA2 P00918 9/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.46
CA1 P00915 5/20 0.43
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
DNMT1 P26358 1/20 0.41
APEX1 P27695 1/20 0.41
TDO2 P48775 1/20 0.41
CASP6 P55212 1/20 0.41

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
Hydrochloric Acid SCHEMBL9021595 0.99 PTGS2 (0.52) PTGS2PTGS1CA2CA12CA9
SCHEMBL9022108 0.85 MEN1 (0.55) PTGS2PTGS1CA2CA12CA9
SCHEMBL9021151 0.84 CA2 (0.49) PTGS2PTGS1CA2CA12CA9
Hydrochloric Acid SCHEMBL9021445 0.84 MEN1 (0.54) PTGS2PTGS1CA2CA12CA9
SCHEMBL9021348 0.84 CA2 (0.48) PTGS2PTGS1CA2CA12CA9
SCHEMBL9021055 0.83 PTGS1 (0.50) PTGS2PTGS1CA2CA12CA9
Hydrochloric Acid SCHEMBL9021712 0.82 PTGS1 (0.49) PTGS2PTGS1CA2CA12CA9
SCHEMBL9021165 0.82 CA2 (0.59) PTGS2PTGS1CA2CA12CA9
SCHEMBL7768307 0.81 PTGS1 (0.43) PTGS2PTGS1CA2CA12CA9
SCHEMBL7768308 0.81 PTGS1 (0.43) PTGS2PTGS1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608393-B1 HAIR DYES WELLA AG (DE) 1996-03-20 EP claimed
EP-0608393-B1 HAIR DYES WELLA AG (DE) 1996-03-20 EP disclosed
US-5468256-A Solvent, anionic, cationic or nonionic surfactant with monoazo dye WELLA AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed