Acrylonitrile

Acrylonitrile

SCHEMBL9757731

C=CC#N.C=CN1CCCC1=O.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 4/20 0.35
HSP90AA1 P07900 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
GPR183 P32249 1/20 0.31
LMNA P02545 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL5885484 0.93 KMT2A (0.39) KMT2AMEN1HSP90AA1SMN1; SMN2TSHR
Acrylonitrile SCHEMBL2775898 0.81 PPARG (0.42) KMT2AHSP90AA1SMN1; SMN2ALDH1A1MAPT
Acrylonitrile SCHEMBL9503153 0.80 PPARG (0.41) KMT2AHSP90AA1SMN1; SMN2ALDH1A1MAPT
Acrylonitrile SCHEMBL1275308 0.77 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL27857165 0.76 TSHR (0.48) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL28798508 0.75 KDM4E (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
Acrylic Acid SCHEMBL28074114 0.75 BLM (0.35) KMT2ATSHRALDH1A1LMNA
Styrene SCHEMBL668985 0.74 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1MAPT
Vinylsulfonic Acid SCHEMBL7905559 0.72 MEN1 (0.35) KMT2AMEN1TSHRLMNA
Sulfuric Acid SCHEMBL10757867 0.72 BRD4 (0.35) KMT2AMEN1TSHRALDH1A1GAA

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
US-5055503-A Polysaccharide graft copolymer containing reactive aminoethyl halide group NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-10-08 US disclosed