SCHEMBL11240076

SCHEMBL11240076

O=NN1CN2C=CC=C(OCc3ccccc3)C2=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
MGMT P16455 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
GRIN2B Q13224 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK14 Q16539 2/20 0.31
GRM5 P41594 1/20 0.31
GRM3 Q14832 1/20 0.31
NPC1 O15118 2/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL11243618 0.80 LMNA (0.32) MAOAMAOBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL30929883 0.65 CYP4F2 (0.34) L3MBTL1MAPT
SCHEMBL638679 0.65 MAOA (0.35) MAOAMAOBPKMMAPK14GRM5
SCHEMBL543350 0.65 MAOA (0.37) MAOAMAOBPKMSMN1; SMN2RAB9A
SCHEMBL6281711 0.64 CNR2 (0.35) SMN1; SMN2KDM4EALDH1A1
SCHEMBL544376 0.62 APOBEC3G (0.36) MAOAMAOBPKMRAB9AL3MBTL1
SCHEMBL23181355 0.59 MAOB (0.56) MAOAMAOBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL27511263 0.57 MAOA (0.45) MAOAMAOBPKMRAB9AGAA
SCHEMBL23070558 0.57 HTT (0.40) MAOBPKMSMN1; SMN2RAB9AL3MBTL1
SCHEMBL19684473 0.55 MAOB (0.40) MAOAMAOBSMN1; SMN2RAB9AL3MBTL1

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-4358454-A ANTIULCER AGENT SCHERING CORPORATION (US) 1982-11-09 US disclosed