SCHEMBL10885992

SCHEMBL10885992

Cc1cc(=O)n(-c2cc(Cl)c(C)cc2S(=O)(=O)O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
ALPL P05186 1/20 0.35
SOD1 P00441 1/20 0.35
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL8990121 0.92 MAPT (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL692667 0.84 MAPT (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10752755 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL11039733 0.81 MAPT (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL11297520 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10884970 0.77 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10651976 0.77 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10607091 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL696836 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL5447378 0.76 MAPT (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A

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-0072501-B1 ASYMMETRIC 1:2 CHROMIUM-COMPLEX DYESTUFFS BAYER AG (DE) 1986-12-03 EP disclosed
US-4234479-A PRINTING AND DYEING NITROGEN-CONTAINING FIBERS; YELLOW BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed
US-4029643-A Chromium containing azo dyes NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1977-06-14 US disclosed