SCHEMBL3403700

SCHEMBL3403700

CCOc1ccc2c(c1)C(NC(C)=O)=CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.43
EPHX1 P07099 1/20 0.43
RAB9A P51151 1/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL1201997 0.86 MTNR1A (0.50) LMNACYP1A2MAPTRAB9ANQO2
SCHEMBL14374386 0.81 ACHE (0.48) SMN1; SMN2
SCHEMBL14374385 0.80 NPSR1 (0.52) KMT2AMEN1LMNARAB9A
SCHEMBL5042357 0.72 NPC1 (0.47) KMT2AMEN1CYP1A2MAPTPOLB
SCHEMBL31465075 0.72 NPC1 (0.47) KMT2AMEN1CYP1A2MAPTPOLB
SCHEMBL9182141 0.69 EPHX1 (0.74) KMT2ATDP1MEN1LMNACYP1A2
SCHEMBL10889926 0.69 KMT2A (0.58) KMT2ATDP1MEN1LMNACYP1A2
SCHEMBL10789373 0.69 TDP1 (0.58) KMT2ATDP1MEN1LMNACYP1A2
SCHEMBL2111071 0.69 KMT2A (0.58) KMT2ATDP1MEN1LMNACYP1A2
Phenacetin SCHEMBL18894356 0.69 KMT2A (1.00) KMT2ATDP1MEN1LMNACYP1A2

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
EP-1716097-B1 NEW PROCESS FOR THE SYNTHESIS OF ENEAMIDE DERIVATIVES ZACH SYSTEM (FR) 2010-10-13 EP disclosed