Cyanide

Cyanide

SCHEMBL27958675

C#N.C=Cc1ccc(-n2cncn2)c(C)c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
S1PR3 Q99500 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
FBP1 P09467 1/20 0.34
DPP4 P27487 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SRD5A1 P18405 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL14321657 0.97 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL14321437 0.82 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL14321689 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL1610077 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL1610075 0.79 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL19823932 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL14321518 0.79 CYP1A2 (0.50) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL14321468 0.78 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL1957646 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL16944266 0.76 POLB (0.42) SMN1; SMN2ALDH1A1KDM4ECYP3A4CYP2C9

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
CN-106165684-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2019-06-14 CN disclosed
CN-105025715-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-11-16 CN disclosed
CN-106165684-A Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-11-30 CN disclosed
CN-103748089-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-08-17 CN disclosed
CN-105025715-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-11-04 CN disclosed
CN-104981155-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed
CN-104981160-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed
CN-103748089-A Pesticidal compositions and methods relating thereto DOW AGROSCIENCES LLC 2014-04-23 CN disclosed