SCHEMBL7961699

SCHEMBL7961699

COc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.81
RAB9A P51151 11/20 0.81
NPC1 O15118 10/20 0.81
GAA P10253 2/20 0.81
TP53 P04637 10/20 0.78
HSD17B10 Q99714 7/20 0.78
RXFP1 Q9HBX9 1/20 0.78
ALDH1A1 P00352 8/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
HPGD P15428 3/20 0.74
NFKB1 P19838 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
KDM4E B2RXH2 6/20 0.72
MAPT P10636 4/20 0.72
HTT P42858 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
LMNA P02545 2/20 0.67

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
SCHEMBL30729285 0.89 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL3428143 0.89 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL14147338 0.88 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL12171135 0.87 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL6428833 0.86 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL16716023 0.86 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL61029 0.84 NPC1 (0.70) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL13408282 0.81 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL23288082 0.81 CASP3 (0.71) SMN1; SMN2RAB9ANPC1GAATP53
SCHEMBL12692348 0.81 RAB9A (0.67) SMN1; SMN2RAB9ANPC1GAATP53

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed