SCHEMBL11446549

SCHEMBL11446549

[N]=Nc1c(N)ccnc1N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.37
▸ NOS3 P29474 6/20 0.37
▸ NOS1 P29475 3/20 0.34
▸ NCF1 P14598 2/20 0.34
▸ F12 P00748 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ NR4A2 P43354 3/20 0.31
▸ SOS2 Q07890 1/20 0.31

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
SCHEMBL10765947 0.77 NOS3 (0.37) NOS2NOS3NOS1NCF1F12
SCHEMBL5310168 0.70 MAPT (0.50) —
SCHEMBL29655645 0.67 — —
SCHEMBL563824 0.67 — —
Hydrochloric Acid SCHEMBL27530095 0.65 NOS2 (0.54) NOS2NOS3NOS1NCF1F12
Hydrochloric Acid SCHEMBL1860229 0.65 NOS2 (0.54) NOS2NOS3NOS1NCF1F12
Bromide SCHEMBL27713588 0.65 NOS2 (0.54) NOS2NOS3NOS1NCF1F12
SCHEMBL27427296 0.64 PRKACA (0.46) NOS2NOS3NOS1NCF1F12
SCHEMBL24388918 0.64 — —
SCHEMBL29091372 0.64 — —

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
US-4208324-A Disperse diaminopyridine-3-azo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-06-17 — — US disclosed
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