Cyanide

Cyanide

SCHEMBL10887131

C#N.c1ccc2[nH]c3ncnc-3nc2c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.57
▸ NPC1 O15118 13/20 0.57
▸ ALDH1A1 P00352 11/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ KDM4E B2RXH2 10/20 0.57
▸ PKM P14618 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ TP53 P04637 4/20 0.57
▸ NPSR1 Q6W5P4 4/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 7/20 0.49
▸ METAP2 P50579 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ METAP1 P53582 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL2466325 0.96 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Carbazole SCHEMBL11246462 0.88 KDM4E (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7864583 0.81 KDM4E (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL950945 0.76 NPC1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30174323 0.76 NPC1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL172216 0.74 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30561047 0.74 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30634854 0.74 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11153711 0.72 NPC1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Water SCHEMBL9817804 0.72 NPC1 (0.95) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058839-B1 SENSITIZED ORGANIC ELECTRON DONOR COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-04-16 — — EP claimed
US-4356244-A Quinoxaline cyanine dye sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-26 — — US claimed
EP-0058839-A1 Sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-09-01 — — EP claimed
EP-0058839-B1 SENSITIZED ORGANIC ELECTRON DONOR COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-04-16 — — EP disclosed
US-4356244-A Quinoxaline cyanine dye sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-26 — — US disclosed
US-4356244-A Quinoxaline cyanine dye sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-26 — — US disclosed
EP-0058839-A1 Sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-09-01 — — EP disclosed
EP-0058839-A1 Sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-09-01 — — EP disclosed
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