SCHEMBL11645241

SCHEMBL11645241

Cc1cc(=O)n(-c2ccc(S(=O)(=O)CO)cc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ LMNA P02545 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ ALKBH5 Q6P6C2 8/20 0.40
▸ KDM5A P29375 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ ALPL P05186 1/20 0.36
▸ ALKBH3 Q96Q83 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BLM P54132 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
SCHEMBL4033097 0.89 ALDH1A1 (0.57) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL27752106 0.89 ALDH1A1 (0.57) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL395368 0.83 ALDH1A1 (0.66) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL7247608 0.81 MAPT (0.63) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL9018938 0.80 ALDH1A1 (0.61) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL7246252 0.80 ALDH1A1 (0.61) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL8418696 0.78 MAPT (0.59) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL4033095 0.78 MAPT (0.59) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL6562023 0.77 ALDH1A1 (0.56) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL28264294 0.76 MAPT (1.00) MAPTALDH1A1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4092101-A Process for fixing prints with reactive dyestuffs on textile materials of native or regenerated cellulose and mixtures thereof with synthetic fibers HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-30 — — US disclosed
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