SCHEMBL8019642

SCHEMBL8019642

C=C(c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCN3CCOCC3)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCN3CCOCC3)c2)cc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7663243 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL7663344 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL7676271 0.86 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL8018821 0.84 MAPT (0.61) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL7662978 0.80 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL15754508 0.80 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL8023083 0.78 RAB9A (0.56) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL8019190 0.78 RAB9A (0.66) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL22516213 0.77 CYP2D6 (0.58) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT
SCHEMBL8008535 0.77 RAB9A (0.65) SMN1; SMN2ALDH1A1MAPK1LMNAMAPT

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