SCHEMBL10574469

SCHEMBL10574469

O=C(OCc1ccccc1)N1CCNC1=N[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ P2RX4 Q99571 2/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 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
SCHEMBL10574468 1.00 NPC1 (0.46) NPC1RAB9AL3MBTL1GAASMN1; SMN2
SCHEMBL7993671 0.81 GAA (0.41) NPC1RAB9AGAASMN1; SMN2
SCHEMBL7993674 0.81 GAA (0.41) NPC1RAB9AGAASMN1; SMN2
SCHEMBL7995353 0.81 ALDH1A1 (0.36) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL7995355 0.81 ALDH1A1 (0.36) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL11860696 0.78 GAA (0.63) NPC1RAB9AL3MBTL1GAASMN1; SMN2
SCHEMBL7993571 0.74 CHRNB2 (0.54) RAB9AL3MBTL1GAASMN1; SMN2MEN1
SCHEMBL7993578 0.74 CHRNB2 (0.54) RAB9AL3MBTL1GAASMN1; SMN2MEN1
SCHEMBL11373206 0.73 GAA (0.43) NPC1RAB9AL3MBTL1GAASMN1; SMN2
SCHEMBL11373210 0.73 GAA (0.43) NPC1RAB9AL3MBTL1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP claimed
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 — — US disclosed
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP disclosed
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