Acrylonitrile

Acrylonitrile

SCHEMBL28530255

C=C(C)COc1ccc(S(=O)(=O)O)cc1.C=CBr.C=CC#N

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ADORA1 P30542 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL5400294 0.85 GPR174 (0.49) GPR174TDP1ALDH1A1GAANPSR1
SCHEMBL1128713 0.85 GPR174 (0.49) GPR174TDP1ALDH1A1GAANPSR1
Ammonia Solution, Strong SCHEMBL8370311 0.83 GPR174 (0.48) GPR174TDP1ALDH1A1GAANPSR1
SCHEMBL14704081 0.73 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CA12
SCHEMBL6712693 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1
Potassium Ion SCHEMBL6710228 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL1129346 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL6714658 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL6710230 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL10468820 0.71 GPR174 (0.48) GPR174ALDH1A1SMN1; SMN2GAANPSR1

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
CN-112337321-B Carbon molecular sieve membrane structure remodeling method 中国石油天然气股份有限公司 2022-11-04 CN disclosed
CN-112337321-A Carbon molecular sieve membrane structure remodeling method 中国石油天然气股份有限公司 2021-02-09 CN disclosed