SCHEMBL8019666

SCHEMBL8019666

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C=Cc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
THRB P10828 13/20 0.47
THRA P10827 9/20 0.47
ENPP2 Q13822 1/20 0.46
VDR P11473 5/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAD51 Q06609 1/20 0.45
PPARG P37231 1/20 0.44
POLB P06746 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
SCHEMBL8019665 1.00 VCAM1 (0.48) VCAM1THRBTHRAENPP2VDR
SCHEMBL7662894 0.95 VCAM1 (0.53) VCAM1THRBTHRAENPP2VDR
SCHEMBL7659049 0.95 VCAM1 (0.53) VCAM1THRBTHRAENPP2VDR
SCHEMBL7658947 0.90 VCAM1 (0.47) VCAM1THRBTHRAENPP2VDR
SCHEMBL7658934 0.90 VCAM1 (0.47) VCAM1THRBTHRAENPP2VDR
SCHEMBL7659041 0.80 ALDH1A1 (0.49) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL7659054 0.80 ALDH1A1 (0.49) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL8021340 0.80 VCAM1 (0.55) VCAM1THRBTHRAVDRMAPT
SCHEMBL8019214 0.79 MEN1 (0.43) VCAM1MAPTHTTMEN1KMT2A
SCHEMBL7659541 0.79 MAPT (0.54) MAPTHTTMEN1KMT2ANPC1

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
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO claimed