(Phenylamino)Acetonitrile

(Phenylamino)Acetonitrile

SCHEMBL4430710

N#CCNc1ccccc1.O=C(O)CNc1ccccc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ABAT P80404 1/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
FFAR1 O14842 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
(Phenylamino)Acetonitrile SCHEMBL7717385 0.87 MAPT (0.46) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Water SCHEMBL27640669 0.87 ABAT (0.52) PKMABATALDH1A1RAB9ALMNA
Benzene SCHEMBL27714747 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
SCHEMBL1330698 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL2006870 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL3069393 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
SCHEMBL7785939 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
(Phenylamino)Acetonitrile SCHEMBL197012 0.84 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL41828 0.84 ABAT (0.53) PKMABATALDH1A1RAB9ALMNA
Acetic Acid SCHEMBL7331428 0.83 PKM (0.53) PKMABATALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2115153-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2009-11-11 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed