SCHEMBL9614840

SCHEMBL9614840

N#Cc1ccc(=O)[nH]c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 2/20 1.00
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MCL1 Q07820 1/20 0.36
DPYD Q12882 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ESR2 Q92731 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
DNMT1 P26358 1/20 0.33
APEX1 P27695 1/20 0.33
TDO2 P48775 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL584505 0.74 UPP1 (0.59) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL6516876 0.72 UPP1 (0.57) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL3048889 0.70 UPP1 (0.53) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL5824339 0.70 UPP1 (0.53) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL3812728 0.69 UPP1 (0.53) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL21589311 0.66 UPP1 (0.49) UPP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21593951 0.66 UPP1 (0.49) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL21645262 0.66 UPP1 (0.49) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL31575258 0.66 UPP1 (0.49) UPP1ALDH1A1KDM4EMCL1DPYD
SCHEMBL30903890 0.66 UPP1 (0.49) UPP1ALDH1A1KDM4EMCL1DPYD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474654-A1 WATER SOLUBLE, FIBRE-REACTIVE DYES, PROCESS FOR MANUFACTURING THEM AND THEIR USE. HOECHST AG (DE) 1992-03-18 EP disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4096145-A DYES FOR RESINS AND POLYESTER TEXTILES BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed