Cyanide

Cyanide

SCHEMBL22130049

C#N.C#N.COc1cccc2sc(C=NN)nc12

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ MAPT P10636 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 7/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ NCOA2 Q15596 1/20 0.41

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
Cyanide SCHEMBL22130198 0.82 ALDH1A1 (0.51) TDP1CYP3A4ALDH1A1KDM4EMAPT
Cyanide SCHEMBL22130061 0.79 LMNA (0.51) TDP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL3254919 0.77 ALDH1A1 (0.59) TDP1CYP3A4ALDH1A1KDM4EMAPT
Cyanide SCHEMBL22130044 0.72 MAPT (0.55) TDP1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL624781 0.71 TDP1 (1.00) TDP1CYP3A4ALDH1A1KDM4EMAPT
Cyanide SCHEMBL22130211 0.70 CYP1A2 (0.55) CYP3A4MAPTMEN1KMT2ARAB9A
Ammonia Solution, Strong SCHEMBL20660436 0.70 TDP1 (0.97) TDP1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL3072555 0.70 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL3123406 0.70 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL5730270 0.70 ALDH1A1 (0.67) TDP1CYP3A4ALDH1A1KDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US claimed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP claimed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — WO claimed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP disclosed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT TDP1 2852/4885CYP3A4 215/4885ALDH1A1 402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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