SCHEMBL11298447

SCHEMBL11298447

c1ccn(Nc2ccc(N3CCOCC3)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ PKM P14618 1/20 0.54
▸ CNR2 P34972 11/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5754979 0.78 ALDH1A1 (0.61) KDM4EPKMCNR2MEN1NPC1
Mopidralazine SCHEMBL2109925 0.78 KDM4E (0.53) KDM4EPKMCNR2MEN1NPC1
SCHEMBL16840723 0.78 KDM4E (0.56) KDM4EPKMCNR2MEN1NPC1
SCHEMBL10970673 0.78 KDM4E (0.56) KDM4EPKMCNR2MEN1NPC1
Hydrochloric Acid SCHEMBL11192350 0.76 KDM4E (0.55) KDM4EPKMCNR2MEN1NPC1
SCHEMBL11171300 0.74 KDM4E (0.47) KDM4EPKMCNR2MEN1NPC1
SCHEMBL23768195 0.74 KDM4E (0.52) KDM4EPKMCNR2MEN1NPC1
SCHEMBL23750482 0.72 KDM4E (0.50) KDM4EPKMCNR2MEN1NPC1
Sulfuric Acid SCHEMBL11167741 0.71 KDM4E (0.59) KDM4EPKMCNR2MEN1NPC1
SCHEMBL22970904 0.69 CDK4 (0.49) KDM4EPKMCNR2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4247551-A N-Pyrrolyl-pyridazineamines and their use as antihypertensive agents GRUPPO LEPETIT S.P.A. (IT) 1981-01-27 — — US disclosed
EP-0009655-A1 6-Amino substituted N-pyrrolyl-3-pyridazine amines, their preparation, and pharmaceutically antihypertensive compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1980-04-16 — — EP disclosed
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