SCHEMBL13439746

SCHEMBL13439746

COCCN(C)c1cc(C(=O)Nc2ccc3c(c2)C(C)C(C)N3)nc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 18/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL13439916 0.84 MAPT (0.40) KDM4EALDH1A1CYP3A4GAAHPGD
SCHEMBL13439938 0.83 MAPT (0.43) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13439939 0.81 GRM4 (0.43)
SCHEMBL11926309 0.81 AKT1 (0.54) NAPEPLDKDM4EALDH1A1CYP3A4RAB9A
SCHEMBL13439936 0.80 IRAK4 (0.48) KDM4EALDH1A1GBA1
SCHEMBL11926308 0.79 KDM4E (0.43) NAPEPLDKDM4EALDH1A1GLACYP3A4
SCHEMBL13439743 0.79 RAF1 (0.42) KDM4EALDH1A1GLAHPGDRAB9A
SCHEMBL13439915 0.78 MAPT (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13439917 0.77 DGAT1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3102407 0.76 PIK3CA (0.53) NAPEPLD

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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed