Cyanide

Cyanide

SCHEMBL28204276

C#N.CNN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL962604 0.93 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTCTSL
SCHEMBL10702180 0.74 GAA (0.46) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL960634 0.73 MAPT (0.61) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL14264702 0.73 GAA (0.41) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL960636 0.73 MAPT (0.61) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL12629713 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHTTCTSL
SCHEMBL4487426 0.71 MEN1 (0.50) ALDH1A1LMNACTSLCTSBRAB9A
SCHEMBL8269193 0.71 CA12 (0.41) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL4487424 0.71 MEN1 (0.50) ALDH1A1LMNACTSLCTSBRAB9A
SCHEMBL12997974 0.71 ATM (0.41) ALDH1A1SMN1; SMN2LMNAHTTCTSL

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-104662007-B Cystathionine gamma lyase (CSE) inhibitor 索瓦制药公司 2018-03-16 CN disclosed