SCHEMBL8362995

SCHEMBL8362995

Cc1ccc(SCc2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
GLA P06280 1/20 0.62
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 3/20 0.58
GFER P55789 4/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DAO P14920 1/20 0.49
RECQL P46063 1/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 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
SCHEMBL14594941 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL5654451 0.83 RAB9A (0.50) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL1581602 0.83 SMN1; SMN2 (0.54) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL693670 0.79 DAO (0.49) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL24685505 0.79 DAO (0.46) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL8364722 0.78 SMN1; SMN2 (0.62) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL3380070 0.77 MAOA (0.58) HPGDPOLBSMN1; SMN2ALDH1A1PKM
SCHEMBL1018295 0.76 SMN1; SMN2 (0.59) LMNAHPGDGLAPOLBSMN1; SMN2
SCHEMBL13162356 0.76 HTT (0.54) LMNAHPGDSMN1; SMN2ALDH1A1GFER
SCHEMBL11601101 0.75 ALDH1A1 (0.56) LMNAHPGDGLAPOLBSMN1; SMN2

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-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed