SCHEMBL7263114

SCHEMBL7263114

Cc1nc(COc2cc[c]cc2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN11 Q06124 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30

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
SCHEMBL7253031 0.77 FFAR1 (0.40) SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL6801133 0.75 LMNA (0.35) LMNASLC6A3ALDH1A1HPGDSMN1; SMN2
SCHEMBL7253305 0.74 RAB9A (0.40) SLC6A3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4721186 0.72 L3MBTL1 (0.48) LMNASLC6A3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3098479 0.71 NPC1 (0.51) LMNASLC6A3SMN1; SMN2MAPTNPC1
SCHEMBL7253353 0.68 MEN1 (0.39) LMNAALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1711764 0.66 KCNH2 (0.53) LMNAALDH1A1HPGDSMN1; SMN2PDE10A
SCHEMBL1711836 0.66 SYK (0.48) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL543113 0.65 MAOB (0.54) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5760005 0.64 PLAU (0.40) LMNAALDH1A1SMN1; SMN2MAPTNPC1

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-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed