SCHEMBL9639634

SCHEMBL9639634

CCOc1cc(S(=O)(=O)O)ccc1[NH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 3/20 0.43
S1PR3 Q99500 1/20 0.43
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
XBP1 P17861 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
SLC2A1 P11166 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9638989 0.87 S1PR3 (0.46) ALDH1A1TSHRHTTS1PR3LMNA
SCHEMBL30184755 0.81 HTT (0.46) ALDH1A1TSHRHTTS1PR3LMNA
SCHEMBL3493523 0.81 ALDH1A1 (0.44) ALDH1A1TSHRHTTS1PR3LMNA
SCHEMBL29837128 0.81 ALDH1A1 (0.44) ALDH1A1TSHRHTTS1PR3LMNA
SCHEMBL156031 0.81 TSHR (0.48) ALDH1A1TSHRHTTLMNASMN1; SMN2
SCHEMBL4651050 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHTTS1PR3SMN1; SMN2
SCHEMBL1607305 0.77 HSD17B10 (0.57) ALDH1A1HTTS1PR3SMN1; SMN2MAPT
SCHEMBL7759862 0.75 HSD17B10 (0.41) ALDH1A1TSHRLMNAMAPTCA12
SCHEMBL2332244 0.72 KDM4E (0.58) ALDH1A1TSHRSMN1; SMN2GAACA12
Hydrochloric Acid SCHEMBL28247955 0.72 RXRA (0.50) ALDH1A1HTTS1PR3LMNASMN1; SMN2

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-5136028-A Red; colorfastness CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed