SCHEMBL8906273

SCHEMBL8906273

CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.50
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ACLY P53396 2/20 0.41
▸ TBXA2R P21731 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ FLT1 P17948 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD11B1 P28845 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
SCHEMBL29859684 0.79 NHERF1 (0.55) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8536389 0.79 NHERF1 (0.55) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL887770 0.74 GPR35 (0.77) GPR35MEN1KMT2AHTTGALR3
SCHEMBL17526121 0.72 ALDH1A1 (0.59) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL1625353 0.72 VCAM1 (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10386462 0.71 ACLY (0.51) GPR35MEN1KMT2AHTTSMN1; SMN2
SCHEMBL29539120 0.71 TBXA2R (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20789180 0.71 TBXA2R (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8604780 0.70 HTT (0.41) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL6564110 0.70 VCAM1 (0.43) GPR35MEN1KMT2AHTTALDH1A1

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
US-5612173-A INDOPHENOL DYE EASTMAN KODAK COMPANY (US) 1997-03-18 — — US disclosed
EP-0574090-A1 One equivalent couplers and low pKa release dyes EASTMAN KODAK COMPANY (US) 1993-12-15 — — EP disclosed
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