SCHEMBL8008341

SCHEMBL8008341

C=C(c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 2/20 0.39
RAD51 Q06609 1/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
USP2 O75604 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ENPP2 Q13822 2/20 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
SCHEMBL8019501 0.84 ADORA3 (0.56) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL8021833 0.82 ADORA3 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL7667681 0.82 ENPP2 (0.55) MEN1KMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL7667634 0.82 ENPP2 (0.55) MEN1KMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL8008740 0.81 ENPP2 (0.39) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL7663771 0.78 RAD51 (0.51) MEN1KMT2ANPC1RAD51ADORA3
SCHEMBL7663761 0.78 RAD51 (0.51) MEN1KMT2ANPC1RAD51ADORA3
SCHEMBL8019113 0.77 RAD51 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9359160 0.76 ENPP2 (0.57) MEN1KMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL8021340 0.75 VCAM1 (0.55) MEN1KMT2ANPC1LMNAALDH1A1

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