SCHEMBL8019132

SCHEMBL8019132

C=C(c1ccc(NC(=O)c2ccc(SCC)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(SCC)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
LMNA P02545 7/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 7/20 0.53
CNR2 P34972 2/20 0.52
CNR1 P21554 1/20 0.52
TSHR P16473 4/20 0.52
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MITF O75030 1/20 0.51
NTSR1 P30989 1/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8023043 0.91 LMNA (0.55) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7658971 0.87 CNR2 (0.53) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7659042 0.87 CNR2 (0.53) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7698867 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7673227 0.84 KMT2A (0.59) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL8019200 0.80 LMNA (0.55) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL8021345 0.79 KMT2A (0.66) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7663948 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7663870 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1MAPK1CNR2
SCHEMBL7663111 0.79 LMNA (0.51) SMN1; SMN2LMNAALDH1A1MAPK1CNR2

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 disclosed