SCHEMBL1122732

SCHEMBL1122732

Cc1nc2ccccc2n(CCO)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 2/20 0.62
MMP2 P08253 7/20 0.60
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BRD4 O60885 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL21788585 0.84 MMP2 (0.60) KDM4EALDH1A1MMP2KMT2AMEN1
SCHEMBL979684 0.82 KDM4E (0.69) KDM4EALDH1A1MMP2KMT2AMEN1
SCHEMBL5547053 0.81 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL9318480 0.81 TLR8 (0.63) KDM4EALDH1A1MMP2SMN1; SMN2CYP2C19
SCHEMBL27799043 0.80 KDM4E (0.61) KDM4EALDH1A1MMP2KMT2AMEN1
SCHEMBL1520226 0.80 KMT2A (0.62) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27799061 0.80 KDM4E (0.72) KDM4EALDH1A1MMP2KMT2AMEN1
SCHEMBL9318535 0.80 ALDH1A1 (0.60) KDM4EALDH1A1MMP2KMT2ASMN1; SMN2
SCHEMBL1963617 0.79 CFTR (0.68) KDM4EALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5717623 0.79 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO disclosed
EP-0304322-B1 1-SUBSTITUTED ALKYL-2-OXO-1,2-DIHYDROQUINOXALINE DERIVATIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-12-02 EP disclosed
US-4870171-A HYPOTENSIVE TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
EP-0304322-A1 1-Substituted alkyl-2-oxo-1,2-dihydroquinoxaline derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-02-22 EP disclosed