Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL10698619

N.Nc1cccc(Cc2ccccc2)c1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.65
MAOA P21397 4/20 0.65
CALM1 P0DP23 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CYP19A1 P11511 3/20 0.52
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CYP3A4 P08684 3/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
IDH1 O75874 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL399652 0.98 MAOB (0.68) MAOBMAOACALM1CA1CA2
SCHEMBL13971316 0.95 MAOB (0.65) MAOBMAOACALM1CA1CA2
SCHEMBL30324526 0.91 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL29569802 0.91 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL9719373 0.91 CA1 (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL3482569 0.91 CA1 (0.62) MAOBMAOACALM1CA1CA2
Diphenylmethane SCHEMBL17414841 0.91 MAOB (0.64) MAOBMAOACALM1CA1CA2
SCHEMBL49433 0.91 MAOB (0.62) MAOBMAOACALM1CA1CA2
SCHEMBL30583096 0.91 MAOB (0.62) MAOBMAOACALM1CA1CA2
Ammonia Solution, Strong SCHEMBL9007433 0.89 CYP19A1 (0.67) MAOBMAOACA1CA2CA9

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-0257011-A2 Permeation modified asymmetric gas separation membranes having graded density skins PERMEA, Inc. (US) 1988-02-24 EP disclosed