SCHEMBL8040128

SCHEMBL8040128

Cc1cc(=N)n(-c2cccc(S(=O)(=O)O)c2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 3/20 0.35
HTT P42858 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MPL P40238 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL393039 0.84 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL10698670 0.84 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL10950657 0.84 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL11316773 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL10954028 0.77 MPL (0.36) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL9506885 0.74 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL11698132 0.74 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL11688550 0.73 ALDH1A1 (0.41) ALDH1A1TDP1TSHRHSD17B10KDM4E
Anthranilic Acid SCHEMBL11706693 0.71 ALDH1A1 (0.45) ALDH1A1TDP1TSHRHSD17B10KDM4E
SCHEMBL11335663 0.71 MEN1 (0.48) ALDH1A1TDP1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603116-B1 Reactive azo dyestuffs CIBA SC HOLDING AG (CH) 2000-05-10 EP disclosed
EP-0696758-B1 Light-sensitive photographique recording material containing a light absorbing dye AGFA GEVAERT AG (DE) 1997-05-07 EP disclosed
EP-0696758-A1 Light-sensitive photographique recording material containing a light absorbing dye Agfa-Gevaert AG (DE) 1996-02-14 EP disclosed
US-5424405-A Colorfast yellow wool dyes CIBA-GEIGY CORPORATION (US) 1995-06-13 US disclosed
EP-0603116-A1 Reactive azo dyestuffs CIBA-GEIGY AG (CH) 1994-06-22 EP disclosed
EP-0129765-A2 Isoindole derivatives, and their manufacture and use in dyeing polyamides BAYER AG (DE) 1985-01-02 EP disclosed
US-4116624-A DISAZO DYES FOR NATURAL OR SYNTHETIC POLYAMIDES CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed