SCHEMBL4433189

SCHEMBL4433189

Cc1ccccc1NCC#N.Cc1ccccc1NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
ITGB1 P05556 1/20 0.53
ITGA5 P08648 1/20 0.53
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
NOTUM Q6P988 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL196636 0.88 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5MAPT
Hydrochloric Acid SCHEMBL2238159 0.88 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5MAPT
SCHEMBL1826516 0.85 MAPT (0.61) MAPTHTTRAB9ANPC1HPGD
Methacrylic Acid SCHEMBL28136925 0.79 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5MAPT
(Phenylamino)Acetonitrile SCHEMBL4430710 0.77 PKM (0.43) MAPTRAB9ANPC1HPGDALDH1A1
SCHEMBL6830596 0.76 MAPT (0.50) ITGB3ITGAVITGB1ITGA5MAPT
SCHEMBL5324212 0.76 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MAPT
SCHEMBL5692314 0.75 PARP1 (0.51) ITGB3ITGAVITGB1ITGA5MAPT
SCHEMBL28304622 0.75 ALDH1A1 (0.57) ITGB3ITGAVITGB1ITGA5MAPT
SCHEMBL6994298 0.74 MAPT (0.57) ITGB3ITGAVITGB1ITGA5MAPT

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