Cyanide

Cyanide

SCHEMBL22130314

C#N.C#N.NN=Cc1ccc2[nH]ncc2c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.53
▸ NEK2 P51955 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ROCK2 O75116 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NOS1 P29475 4/20 0.45
▸ METAP2 P50579 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ APP P05067 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAPK1 P28482 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
Cyanide SCHEMBL22130308 0.88 MAOB (0.53) MAOBNEK2MAPTKDM4EMEN1
SCHEMBL2659196 0.79 MAOB (0.57) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL2659198 0.79 MAOB (0.57) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL7341327 0.75 MAOB (0.59) MAOBROCK2MEN1KMT2ARAB9A
Cyanide SCHEMBL22130248 0.74 GRIN2D (0.57) MAOBMAPTALDH1A1GAARAB9A
SCHEMBL29569257 0.73 NOS1 (0.53) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL3722635 0.73 NOS1 (0.53) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL182465 0.73 NOS1 (0.53) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL6599321 0.73 ROCK2 (0.53) MAOBNEK2MAPTROCK2KDM4E
SCHEMBL27207694 0.73 LMNA (0.58) MAOBNEK2KDM4ERAB9APOLB

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 MAOB 23/4885NEK2 212/4885MAPT 3061/4885

“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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