SCHEMBL11189397

SCHEMBL11189397

CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.CCc1nc(C)c(C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
TGFBR1 P36897 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK12 P53778 1/20 0.41

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
SCHEMBL5378775 0.89 KDM4E (0.59) KDM4EHPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL1696508 0.82 TP53 (0.53) KDM4EHPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL19116734 0.82 L3MBTL1 (0.61) KDM4EHPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL9518314 0.76 ADORA3 (0.56) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL27564581 0.75 ADORA3 (0.55) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2020536 0.75
SCHEMBL3278317 0.74 KDM4E (0.58) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9515033 0.74 KDM4E (0.53) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29668081 0.73 KDM4E (0.51) KDM4EHPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL2050519 0.73 KDM4E (0.51) KDM4EHPGDSMN1; SMN2L3MBTL1ALDH1A1

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-4410706-A Preparation of 2-vinylimidazoles by dehydrogenation of 2-ethylimidazoles and 2-ethylimidazolines AMERICAN CYANAMID COMPANY (US) 1983-10-18 US claimed