SCHEMBL11409686

SCHEMBL11409686

Nc1cc(S(=O)(=O)O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
CD40 P25942 2/20 0.53
CD40LG P29965 2/20 0.53
NT5E P21589 1/20 0.51
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 1/20 0.47
ERO1A Q96HE7 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
HDAC2 Q92769 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL11411204 0.87 RAB9A (0.56) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4898797 0.84 ALDH1A1 (0.47) MAPTHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL11736141 0.84 MEN1 (0.61) MAPTRAB9ACD40CD40LGNT5E
SCHEMBL11706405 0.82 MAPT (0.54) MAPTRAB9ANPC1HTTALDH1A1
SCHEMBL8667488 0.81 HDAC2 (0.55) MAPTALDH1A1MEN1KMT2AHDAC1
SCHEMBL10887712 0.81 CD40 (0.56) MAPTRAB9ACD40CD40LGNT5E
SCHEMBL11797457 0.79 NPC1 (0.66) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL11597131 0.79 HCAR3 (0.56) MAPTRAB9ACD40CD40LGNPC1
SCHEMBL11431489 0.79 MAPT (0.52) MAPTRAB9ACD40CD40LGNT5E
SCHEMBL11346516 0.78 HDAC2 (0.64) MAPTRAB9ANPC1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228071-A Triazine containing fiber-reactive disazo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-10-14 US disclosed