Cyanide

Cyanide

SCHEMBL6526282

C#N.Cc1cc2ccccc2n1C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
DAO P14920 1/20 0.47
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 2/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
BRD4 O60885 1/20 0.44
BRPF1 P55201 1/20 0.44
KAT2B Q92831 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
TERT O14746 1/20 0.43
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL154592 0.94 KMT2A (0.55) KMT2ADAOMCL1MEN1NPC1
SCHEMBL29378766 0.94 KMT2A (0.55) KMT2ADAOMCL1MEN1NPC1
Ammonia Solution, Strong SCHEMBL28142197 0.91 KMT2A (0.53) KMT2ADAOMCL1MEN1NPC1
SCHEMBL1172151 0.86 KMT2A (0.53) KMT2ADAOMCL1MEN1NPC1
SCHEMBL29528615 0.86 KMT2A (0.53) KMT2ADAOMCL1MEN1NPC1
SCHEMBL5700702 0.86 KMT2A (0.53) KMT2ADAOMCL1MEN1NPC1
Formamide SCHEMBL8533326 0.82 DAO (0.47) KMT2ADAOMCL1MEN1NPC1
SCHEMBL1172147 0.82 DAO (0.47) KMT2ADAOMCL1MEN1NPC1
SCHEMBL5700705 0.82 DAO (0.47) KMT2ADAOMCL1MEN1NPC1
SCHEMBL27898683 0.82 DAO (0.47) KMT2ADAOMCL1MEN1NPC1

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-20050019939-A1 Combination marker for liquids and method identification thereof SILICON VALLEY BANK, AS ADMINISTRATIVE AGENT 2005-01-27 US disclosed