SCHEMBL4730741

SCHEMBL4730741

COC(=O)c1cc(OC)ccc1CN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
NR4A2 P43354 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KLKB1 P03952 1/20 0.45
CYP3A4 P08684 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
PLA2G2A P14555 1/20 0.43
MAPT P10636 2/20 0.42

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
Hydrochloric Acid SCHEMBL4730738 0.98 KDM4E (0.54) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL7849332 0.87 KDM4E (0.51) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL13469244 0.86 KDM4E (0.58) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3230860 0.85 KDM4E (0.61) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL26785965 0.84 KDM4E (0.61) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL23292486 0.83 KDM4E (0.55) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL149036 0.83 KDM4E (0.55) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9952903 0.82 KDM4E (0.54) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2773966 0.82 KDM4E (0.54) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL26010170 0.81 LOXL2 (0.56) KDM4ECA1CA2L3MBTL1KLKB1

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed