SCHEMBL10694484

SCHEMBL10694484

NCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 3/20 0.44
KAT2B Q92831 1/20 0.43
KMT2A Q03164 4/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 4/20 0.40
NT5E P21589 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
UBE2N P61088 1/20 0.38
PRSS1 P07477 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
SCHEMBL10693372 0.93 KAT2B (0.53) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL9878203 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL10597376 0.86 KMT2A (0.45) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL10692288 0.82 POLB (0.44) ALDH1A1SMN1; SMN2POLBKMT2ATDP1
SCHEMBL10351576 0.82 KAT2B (0.54) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL10538157 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL10597296 0.81 POLB (0.45) ALDH1A1SMN1; SMN2POLBKAT2BKMT2A
SCHEMBL10692797 0.81 RAPGEF4 (0.41) ALDH1A1POLBKMT2ATDP1NT5E
SCHEMBL29597632 0.80 KMT2A (0.58) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
SCHEMBL9877922 0.80 KMT2A (0.58) ALDH1A1SMN1; SMN2POLBKMT2ATSHR

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