SCHEMBL10444523

SCHEMBL10444523

Nc1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.44
▸ TSHR P16473 3/20 0.44
▸ NT5E P21589 1/20 0.44
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALKBH5 Q6P6C2 6/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ LMNA P02545 4/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ CYP2C9 P11712 2/20 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
SCHEMBL10400767 0.83 ALDH1A1 (0.47) ALDH1A1TSHRNT5EMAPTALKBH5
SCHEMBL11642423 0.82 ALDH1A1 (0.46) ALDH1A1TSHRNT5EMAPTKDM4E
SCHEMBL10444620 0.82 ALDH1A1 (0.46) ALDH1A1TSHRNT5EMAPTKDM4E
SCHEMBL395368 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL11437033 0.80 ALKBH5 (0.49) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL67421 0.78 ALKBH5 (0.66) ALDH1A1MAPTKDM4EKMT2ACYP2C19
SCHEMBL9836343 0.77 TSHR (0.41) ALDH1A1TSHRNT5EMAPTKDM4E
SCHEMBL11532835 0.77 TSHR (0.41) ALDH1A1TSHRNT5EMAPTKDM4E
SCHEMBL10444363 0.77 CYP2C19 (0.42) ALDH1A1TSHRNT5EMAPTKDM4E
SCHEMBL9836491 0.77 CYP2C19 (0.42) ALDH1A1TSHRNT5EMAPTKDM4E

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-0360289-A2 Positive working silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-28 — — EP disclosed
US-4188489-A Process for the production of 3-substituted amino-5-pyrazolones FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 — — US disclosed
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