SCHEMBL8028088

SCHEMBL8028088

CSc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(SC)c(S(=O)(=O)N5CCOCC5)c4)cc3S)cc2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPK1 P28482 4/20 0.52
USP2 O75604 3/20 0.52
TP53 P04637 4/20 0.51
TSHR P16473 5/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MITF O75030 1/20 0.49
NTSR1 P30989 1/20 0.49
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7657079 0.90 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7661298 0.85 SMN1; SMN2 (0.56) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7661372 0.85 SMN1; SMN2 (0.56) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7657065 0.80 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7657048 0.80 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7659042 0.76 CNR2 (0.53) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7663003 0.76 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7663114 0.76 LMNA (0.52) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7658971 0.76 CNR2 (0.53) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7659541 0.76 MAPT (0.54) LMNASMN1; SMN2MAPTKMT2AMEN1

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