SCHEMBL8025347

SCHEMBL8025347

COc1ccc(C(=O)Nc2cccc(S(=O)(=O)O)c2)cc1S(=O)(=O)N1CCCCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.77
NPC1 O15118 2/20 0.77
CASP3 P42574 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
HSD17B10 Q99714 2/20 0.66
LMNA P02545 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
MAPT P10636 4/20 0.66
USP2 O75604 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
CNR2 P34972 1/20 0.62
ATM Q13315 1/20 0.61
TP53 P04637 2/20 0.60

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
SCHEMBL8021524 1.00 RAB9A (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8025204 0.99 RAB9A (0.78) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7675932 0.90 MEN1 (0.81) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8025190 0.89 KMT2A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15954070 0.88 RAB9A (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL22516308 0.85 MAPT (0.76) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7658611 0.84 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL22501551 0.84 MAPT (0.71) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL22516014 0.84 MAPT (0.77) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7666105 0.83 RAB9A (0.65) 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