SCHEMBL13680512

SCHEMBL13680512

CNC(=O)Oc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 4/20 0.41
ADAMTS4 O75173 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 2/20 0.39
PKM P14618 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL13680520 0.82 LMNA (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13680467 0.81 KIF11 (0.46) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL13680561 0.78 RAB9A (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL12893245 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13680504 0.76 PLK1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL13680883 0.76 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2182880 0.74 LMNA (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13680510 0.73 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13680486 0.73 MAPT (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23197679 0.73 TDP1 (0.56) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed