SCHEMBL8796940

SCHEMBL8796940

COc1ccc2c(c1)C(=O)N(CCOc1ccc(C=O)cc1)CO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
RAB9A P51151 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8803534 0.91 MAOB (0.48) MAOBACHE
SCHEMBL8796662 0.87 PSEN1 (0.42) MAOBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8578663 0.85 KMT2A (0.47) MAOBRAB9AACHEALDH1A1MAPT
SCHEMBL8797673 0.84 HPGD (0.52) MAOBRAB9AHRH3HPGDNPC1
SCHEMBL8797670 0.84 HPGD (0.52) MAOBRAB9AHRH3HPGDNPC1
SCHEMBL6949825 0.84 ACHE (0.45) MAOBRAB9AACHEHPGDNPC1
SCHEMBL8796650 0.83 MAPT (0.42) HRH3ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8797677 0.83 CSNK2A2 (0.51) MAOBRAB9AHRH3HPGDNPC1
SCHEMBL8797091 0.83 ALDH1A1 (0.41) MAOBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8798715 0.81 NPC1 (0.46) MAOBRAB9AACHENPC1TDP1

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed