SCHEMBL9836343

SCHEMBL9836343

O=c1cc(CCCCc2cc(=O)n(-c3ccc(S(=O)(=O)O)cc3)[nH]2)[nH]n1-c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALKBH5 Q6P6C2 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PTPN1 P18031 3/20 0.35
▸ PTPN6 P29350 3/20 0.35
▸ PTPN11 Q06124 3/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 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
SCHEMBL11433833 0.86 TSHR (0.43) TSHRCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL11532835 0.85 TSHR (0.41) TSHRCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL11663023 0.79 KDM5A (0.38) TSHRALDH1A1MAPTKMT2AHTT
SCHEMBL10444620 0.78 ALDH1A1 (0.46) TSHRCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL11642423 0.78 ALDH1A1 (0.46) TSHRCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL395368 0.77 ALDH1A1 (0.66) CYP2C19ALDH1A1MAPTKMT2AHTT
SCHEMBL10444523 0.77 ALDH1A1 (0.44) TSHRCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL11657301 0.76 KDM5A (0.36) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11657290 0.76 KDM5A (0.36) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL67421 0.75 ALKBH5 (0.66) CYP2C19ALDH1A1MAPTKMT2AKDM4E

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
EP-0215124-B1 SILVER HALIDE PHOTOGRAPHIC PHOTO-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-09-04 — — EP disclosed
US-4925782-A Silver halide photographic light-sensitive element containing water soluble dye compounds FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 — — US disclosed
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