SCHEMBL9253121

SCHEMBL9253121

Nc1cccc(Cc2cccc(N)c2)c1.Nc1ccccc1CCc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
MAOA P21397 4/20 0.55
CYP19A1 P11511 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP3A4 P08684 2/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 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
SCHEMBL841645 0.89 MAOB (0.53) MAOBMAOACYP19A1CA1CA2
SCHEMBL486858 0.82 MAOB (0.59) MAOBMAOACYP19A1CA1CA2
SCHEMBL30583096 0.82 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL49433 0.82 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL399652 0.80 MAOB (0.68) MAOBMAOACYP19A1CA1CA2
SCHEMBL9719335 0.80 MAOB (0.60) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL10936113 0.80 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL8644377 0.80 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
Ammonia Solution, Strong SCHEMBL10698619 0.78 MAOB (0.65) MAOBMAOACYP19A1CA1CA2
SCHEMBL13971316 0.78 MAOB (0.65) MAOBMAOACYP19A1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446947-B1 Gas separating asymmetric membrane UBE INDUSTRIES (JP) 1995-05-24 EP disclosed
EP-0446947-A2 Gas separating asymmetric membrane UBE INDUSTRIES, LTD. (JP) 1991-09-18 EP disclosed