SCHEMBL9192086

SCHEMBL9192086

NCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.59
POLB P06746 1/20 0.58
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NT5E P21589 2/20 0.50
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL10693372 0.87 KAT2B (0.53) KAT2BPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10351576 0.85 KAT2B (0.54) KAT2BPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10851653 0.85 KMT2A (0.60) POLBALDH1A1SMN1; SMN2NT5EMEN1
SCHEMBL10502068 0.81 NT5E (0.51) POLBALDH1A1SMN1; SMN2NT5EMEN1
SCHEMBL11111278 0.80 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2NT5EMEN1
SCHEMBL10622798 0.79 KAT2B (0.72) KAT2BPOLBALDH1A1MAPTPKM
SCHEMBL8412044 0.79 RAPGEF4 (0.55) KAT2BPOLBALDH1A1NT5EMEN1
SCHEMBL11692517 0.79 NT5E (0.58) POLBALDH1A1NT5EMEN1MAPT
SCHEMBL10694484 0.79 ALDH1A1 (0.44) KAT2BPOLBALDH1A1SMN1; SMN2NT5E
SCHEMBL2228520 0.78 KAT2B (0.66) KAT2BPOLBALDH1A1MAPTPKM

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
EP-0474596-B1 Reactive dyes, methods for their preparation and their utilisation CIBA GEIGY AG (CH) 1995-11-15 EP disclosed
EP-0474596-A1 Reactive dyes, methods for their preparation and their utilisation CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed