SCHEMBL365016

SCHEMBL365016

CCOC(=O)c1c2ccccc2n2cc(OC(=O)N3CCOCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 2/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL364758 0.91 MEN1 (0.44) KDM4EALDH1A1KMT2ARAB9ANPC1
SCHEMBL366561 0.87 KMT2A (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL365668 0.85 KMT2A (0.55) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL365015 0.84 ALDH1A1 (0.58) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL365101 0.84 KMT2A (0.51) KDM4ECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL365361 0.82 PPARG (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL366638 0.82 KDM4E (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL367142 0.82 KDM4E (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL366286 0.81 MAPT (0.48) KDM4EALDH1A1KMT2ARAB9ANPC1
SCHEMBL364969 0.79 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed