Cyanide

Cyanide

SCHEMBL28172149

C#N.Fc1cccc(F)c1NC1CCC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IDH1 O75874 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6904567 0.86 DDB1 (0.47) DDB1CRBNKDM4EHSD17B10GBA1
SCHEMBL2509278 0.73 KDM4E (0.42) DDB1CRBNKDM4EIDH1MAPT
SCHEMBL6888144 0.73 HTR3A (0.55) GAA
SCHEMBL15630464 0.73 ALB (0.46) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL6886652 0.73 HTR3A (0.55) GAA
SCHEMBL17048284 0.71 KDM4E (0.37) DDB1CRBNKDM4EMAPTGAA
SCHEMBL31472197 0.70 GAA (0.43) MAP4K4KDM4EHSD17B10GBA1KMT2A
SCHEMBL27638728 0.68 KDM4E (0.58) KDM4EHSD17B10GBA1ALDH1A1KMT2A
SCHEMBL2507487 0.67 MAPT (0.44) ALDH1A1NPSR1KMT2ANPC1RAB9A
SCHEMBL2778937 0.67 PTGES2 (0.44) DDB1CRBN

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
CN-106983749-A Androgen receptor modifier and application thereof 亚拉冈制药公司 2017-07-28 CN disclosed