SCHEMBL8021340

SCHEMBL8021340

C=C(c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.55
THRA P10827 7/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 10/20 0.46
VDR P11473 3/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7662894 0.84 VCAM1 (0.53) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL7659049 0.84 VCAM1 (0.53) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL8008740 0.83 ENPP2 (0.39) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL8019501 0.82 ADORA3 (0.56) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL8019665 0.80 VCAM1 (0.48) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL8019666 0.80 VCAM1 (0.48) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL7658947 0.79 VCAM1 (0.47) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL7658934 0.79 VCAM1 (0.47) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL8022556 0.79 VCAM1 (0.44) VCAM1THRAMAPTMEN1KMT2A
SCHEMBL8021833 0.76 ADORA3 (0.43) MAPTMEN1KMT2AALDH1A1HTT

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