SCHEMBL12296306

SCHEMBL12296306

CCc1nc2ccccn2c1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3A P31941 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 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
SCHEMBL12294854 0.80 SMN1; SMN2 (0.62) ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL14760978 0.77 CYP2C9 (0.53) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL12294560 0.74 MAPK1 (0.54) KMT2AALDH1A1MAPK1KDM4EMAPT
SCHEMBL2265406 0.72 MAPK1 (0.51) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL2420499 0.71 CYP2C9 (0.63) KDM4EL3MBTL1SMN1; SMN2LMNAPKM
SCHEMBL12294634 0.71 CYP2C9 (0.41) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL18629838 0.70 SMN1; SMN2 (0.52) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL12295364 0.70 MAPK1 (0.75) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL12295260 0.69 CYP2C9 (0.58) ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL17876756 0.69 KDM4E (0.67) MEN1KMT2AALDH1A1MAPK1KDM4E

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-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 WO disclosed