SCHEMBL10693372

SCHEMBL10693372

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL10694484 0.93 ALDH1A1 (0.44) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL10351576 0.89 KAT2B (0.54) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL9192086 0.87 KAT2B (0.59) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL9878203 0.82 ALDH1A1 (0.50) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL10694756 0.82 RAPGEF4 (0.40) KAT2BPOLBALDH1A1KMT2AMEN1
SCHEMBL9877899 0.81 ALDH1A1 (0.62) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL10692288 0.81 POLB (0.44) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10538157 0.79 ALDH1A1 (0.49) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL10694725 0.79 RAPGEF4 (0.40) KAT2BPOLBALDH1A1KMT2AMEN1
SCHEMBL10597376 0.79 KMT2A (0.45) KAT2BPOLBALDH1A1SMN1; SMN2KMT2A

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-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed