SCHEMBL8157787

SCHEMBL8157787

O=c1ccn2c3ccc(Br)cc3c3cc(OCc4ccccc4)cc1c32

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.44
MAOA P21397 3/20 0.41
MAPK14 Q16539 2/20 0.41
GSTP1 P09211 1/20 0.39
PTGES O14684 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CHEK1 O14757 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6978806 0.87 GRM2 (0.41) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL6983135 0.84 PTGDR2 (0.39) MEN1KMT2A
SCHEMBL6983094 0.82 MAOB (0.33) MAOBMAOAMEN1KMT2A
SCHEMBL7087746 0.82 MAOA (0.33) MAOBMAOA
SCHEMBL7083107 0.80 IDO1 (0.33) MAOBMAOA
SCHEMBL6982438 0.79 PIK3R1 (0.39) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL6978232 0.78 CHEK1 (0.36) CHEK1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6979976 0.77 SMN1; SMN2 (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL6971985 0.76 SMN1; SMN2 (0.43) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL6981400 0.75 PSEN1 (0.39) ALDH1A1HPGD

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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed