SCHEMBL8024683

SCHEMBL8024683

COc1ccc(C(=O)Nc2cccc(S)c2)cc1S(=O)(=O)N1CCSCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
MAPK1 P28482 5/20 0.64
LMNA P02545 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 2/20 0.52

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
SCHEMBL7663843 0.80 CA1 (0.61) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7663788 0.80 CA1 (0.61) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8025204 0.79 RAB9A (0.78) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8025347 0.78 RAB9A (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15954070 0.78 RAB9A (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8021524 0.78 RAB9A (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7662928 0.78 SMN1; SMN2 (0.70) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7675932 0.77 MEN1 (0.81) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8025190 0.76 KMT2A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8022348 0.74 MEN1 (0.51) RAB9ANPC1CASP3SENP8SENP7

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