SCHEMBL9722734

SCHEMBL9722734

CCS(=O)(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 3/20 0.71
HPGD P15428 2/20 0.71
LMNA P02545 2/20 0.71
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.71
KMT2A Q03164 1/20 0.71
CYP2D6 P10635 1/20 0.68
CYP3A4 P08684 5/20 0.62
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 3/20 0.57
GFER P55789 2/20 0.57
VDR P11473 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL11591589 0.90 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL9805795 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL686784 0.84 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL9722739 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL9722719 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL9722820 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL8298594 0.83 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL11589876 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL1785869 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL11588774 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDLMNAKDM4E

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 8 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
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 US disclosed
US-4041024-A FOR POLYAMIDES AND POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 US disclosed
US-3998802-A POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 US disclosed