SCHEMBL12433301

SCHEMBL12433301

BCc1noc(/C=C/c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GLA P06280 1/20 0.54
CASP3 P42574 9/20 0.50
SENP7 Q9BQF6 9/20 0.50
SENP8 Q96LD8 7/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
SENP6 Q9GZR1 6/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX5 P09917 2/20 0.46
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL12531878 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2704695 0.83 RAB9A (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL3702836 0.83 RAB9A (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL21654594 0.76 ALOX5 (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8437448 0.71 RAB9A (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2829046 0.64 KDM4E (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL2829047 0.64 KDM4E (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
(Z)-1,2-Diphenylethene SCHEMBL22712863 0.63 MAOB (0.73) KMT2AALDH1A1MEN1ALOX5TRPA1
(Z)-1,2-Diphenylethene SCHEMBL9134296 0.63 MAOB (0.73) KMT2AALDH1A1MEN1ALOX5TRPA1
(Z)-1,2-Diphenylethene SCHEMBL21847984 0.63 MAOB (0.73) KMT2AALDH1A1MEN1ALOX5TRPA1

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
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed