SCHEMBL27535009

SCHEMBL27535009

Cc1c(-c2cc3cc(N(C)c4cccnc4)ccc3o2)oc(=O)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
APP P05067 1/20 0.34
GRM5 P41594 3/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GFER P55789 1/20 0.31
S1PR1 P21453 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
SCHEMBL6591785 0.85 TRPV1 (0.40) MAOAMAOBPOLBMAPTKMT2A
SCHEMBL6593781 0.85 MLYCD (0.41) MAOAMAOBPOLBMAPTKMT2A
SCHEMBL6591161 0.85 MAOB (0.38) MAOAMAOBKMT2APIM1PIM2
SCHEMBL6594401 0.81 APP (0.48) APPKDM4E
SCHEMBL28747067 0.79 MAOB (0.38) MAOAMAOBAPPPOLBMAPT
SCHEMBL6597385 0.78 RAB9A (0.44) MAOAMAOBPOLBMAPTKMT2A
SCHEMBL6588945 0.76 ACHE (0.45) MAOAMAOBALDH1A1HPGD
SCHEMBL6592236 0.76 MAOB (0.41) MAOAMAOBAPPMAPTKMT2A
SCHEMBL6594695 0.75 APP (0.37) MAOAMAOBAPPMAPTKMT2A
SCHEMBL6595717 0.74 SLC16A3 (0.38) MAOBKMT2AALDH1A1HPGDKDM4E

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
CN-1299359-A Benzofurylpyrone derivatives TEIJIN LTD (JP) 2001-06-13 CN disclosed