SCHEMBL38086

SCHEMBL38086

COc1ccc(-c2[c]cccc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 4/20 0.35
MAOB P27338 4/20 0.35
SCD5 Q86SK9 2/20 0.34
SCD O00767 1/20 0.34
NNMT P40261 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1521688 0.79 APLNR (0.31) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL38239 0.76 OXTR (0.35) KDM4ENPC1RAB9A
SCHEMBL715745 0.76 RAB9A (0.44) MAPTMAOBNPC1RAB9AHPGD
SCHEMBL1456221 0.73 NNMT (0.46) LMNAKDM4EMAPTMAOBNNMT
SCHEMBL38536 0.72 CYP2A6 (0.49) LMNANPC1MEN1KMT2A
SCHEMBL14964686 0.72 LMNA (0.34) LMNAKDM4EMAPTMAOBNNMT
SCHEMBL1752864 0.71 LMNA (0.58) LMNAKDM4EMAPTNPC1RAB9A
SCHEMBL13052047 0.69 ALDH1A1 (0.42) LMNAKDM4EMAPTMAOBNNMT
SCHEMBL353814 0.68 NNMT (0.54) LMNAKDM4EMAPTNNMTNPC1
SCHEMBL29795195 0.68 NNMT (0.54) LMNAKDM4EMAPTNNMTNPC1

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-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed