SCHEMBL9181792

SCHEMBL9181792

Cc1cc(=O)n(-c2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
ENPP2 Q13822 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP6 P55212 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MPL P40238 8/20 0.36
NSD2 O96028 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
NT5E P21589 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
SCHEMBL3248340 0.91 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10795187 0.88 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10608289 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10607053 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10602213 0.82 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10415376 0.82 CASP6 (0.40) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11506929 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL395368 0.80 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11590248 0.79 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL9821290 0.79 MAPT (0.50) ALDH1A1MAPTKMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420256-A 2-amino-4-phenylamino-1,3,5-triazinyl reactive dyestuffs, process for their preparation and their use dye cellulose or polyamides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
US-5256774-A Bifunctional reactive dyestuffs containing the 2-(N-substituted amino)-4-(N-phenylamino)-1,3,5-trlazinyl moiety BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed