SCHEMBL4164367

SCHEMBL4164367

COc1cc(CC(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
PTGS2 P35354 1/20 0.65
MEN1 O00255 7/20 0.61
HSD17B2 P37059 1/20 0.61
CDK4 P11802 1/20 0.60
CCND1 P24385 1/20 0.60
MAPT P10636 1/20 0.60
AANAT Q16613 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
POLB P06746 1/20 0.56
MTNR1A P48039 1/20 0.56

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
SCHEMBL13962631 0.87 PTGS2 (0.60) KMT2APTGS2MEN1CDK4CCND1
SCHEMBL14520190 0.87 KMT2A (0.61) KMT2APTGS2MEN1LMNACYP1A2
SCHEMBL11483618 0.83 KMT2A (0.68) KMT2AMEN1HSD17B2CDK4CCND1
SCHEMBL4302838 0.83 SMN1; SMN2 (0.58) KMT2APTGS2MEN1MAPTSMN1; SMN2
SCHEMBL9118459 0.81 AANAT (0.71) KMT2AMEN1HSD17B2MAPTAANAT
SCHEMBL10069200 0.80 AANAT (0.77) KMT2AMEN1HSD17B2AANATLMNA
SCHEMBL21255779 0.80 KMT2A (0.69) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL798104 0.80 MTNR1A (0.72) KMT2AMEN1CYP1A2BLMPOLB
SCHEMBL9751554 0.79 MEN1 (0.67) KMT2AMEN1CDK4CCND1MAPT
SCHEMBL28654709 0.79 PTGS2 (1.00) KMT2APTGS2MEN1CDK4CCND1

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-2009010542-A1 CYCLIC AMIDE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2009-01-22 WO disclosed
WO-2009010542-A1 CYCLIC AMIDE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2009-01-22 WO disclosed