SCHEMBL11235101

SCHEMBL11235101

Cc1c(Cl)ccc(S(=O)(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 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
SCHEMBL11136702 0.85 MEN1 (0.39) ALDH1A1CYP2C9RECQLTSHRCYP3A4
SCHEMBL27492603 0.82 KMT2A (0.38) ALDH1A1RECQLTSHRCYP3A4THRB
SCHEMBL8079054 0.80 AURKA (0.43) ALDH1A1CYP2C9RECQLTSHRCYP3A4
SCHEMBL8990084 0.80 CA1 (0.39) ALDH1A1CYP2C9RECQLTSHRCYP3A4
SCHEMBL10014825 0.80 WDR5 (0.46) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL9338620 0.80 MEN1 (0.44) ALDH1A1CYP2C9RECQLTSHRCYP3A4
SCHEMBL11053840 0.78 AURKA (0.39) ALDH1A1CYP2C9RECQLTSHRCYP3A4
SCHEMBL9857389 0.77 WDR5 (0.35) ALDH1A1RECQLTSHRCYP3A4THRB
SCHEMBL11235079 0.77 WDR5 (0.35) ALDH1A1TSHRMEN1KMT2AWDR5
SCHEMBL9232836 0.77 MEN1 (0.39) ALDH1A1CYP2C9RECQLTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012341-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-08 EP disclosed
US-4332938-A Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4325705-A Anthraquinone reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
EP-0012342-A1 Anthraquinone reactive dyestuffs and their use in dyeing and printing materials that contain hydroxyl groups or amide groups BAYER AG (DE) 1980-06-25 EP disclosed
EP-0012341-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 EP disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed