SCHEMBL9722792

SCHEMBL9722792

Nc1nc2c(S(=O)(=O)O)cccc2s1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE10A Q9Y233 1/20 0.53
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TTR P02766 1/20 0.42
PKLR P30613 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4302032 0.85 PDPK1 (0.59) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL9722793 0.83 ALDH1A1 (0.57) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL28551546 0.83 TTR (0.51) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL10797656 0.83 ALDH1A1 (0.49) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL28136959 0.81 PSMB8 (0.39) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL27872889 0.80 PKLR (0.39) ALDH1A1LMNASMN1; SMN2TTRPKLR
SCHEMBL11341717 0.80 TTR (0.35) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL9805781 0.80 ALDH1A1 (0.49) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
Sulfuric Acid SCHEMBL9010159 0.79 LMNA (0.81) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
Hydrochloric Acid SCHEMBL10910662 0.79 ALDH1A1 (0.47) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed
EP-0048538-A1 Azo dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed