Cyanide

Cyanide

SCHEMBL27463529

C#N.Clc1ccccc1C1CC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
RECQL P46063 1/20 0.52
OPRL1 P41146 4/20 0.46
TRPV6 Q9H1D0 1/20 0.43
ADRA1A P35348 2/20 0.42
DPP4 P27487 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL1897406 0.93 TP53 (0.57) TP53RECQLOPRL1TRPV6ADRA1A
Charcoal, Activated SCHEMBL5897477 0.91 TP53 (0.55) TP53RECQLOPRL1TRPV6ADRA1A
SCHEMBL3789653 0.84 TP53 (0.53) TP53RECQLOPRL1ADRA1ADPP4
SCHEMBL3784740 0.84 TP53 (0.53) TP53RECQLOPRL1TRPV6ADRA1A
Bicarbonate SCHEMBL10360630 0.83 TP53 (0.53) TP53RECQLOPRL1LMNA
SCHEMBL8747411 0.83 TP53 (0.53) TP53RECQLOPRL1TRPV6HTR2A
SCHEMBL11444228 0.83 TP53 (0.48) TP53RECQLOPRL1TRPV6ADRA1A
SCHEMBL16233612 0.83 TP53 (0.48) TP53RECQLOPRL1TRPV6ADRA1A
SCHEMBL11832831 0.83 TP53 (0.48) TP53RECQLOPRL1TRPV6ADRA1A
SCHEMBL2316090 0.82 TP53 (0.52) TP53RECQLOPRL1ADRA1ADPP4

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-1138756-C Preparation of tirt nitrile substituted aromatic compound �Ʒ� 2004-02-18 CN disclosed