SCHEMBL8480109

SCHEMBL8480109

N=C(NOCCN1CCCCC1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
GAA P10253 1/20 0.46
LTA4H P09960 2/20 0.44
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CHRNA7 P36544 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3065156 0.93 CHRNB2 (0.46) CHRNB2CHRNA4GAALTA4HSMN1; SMN2
Hydrochloric Acid SCHEMBL3071575 0.92 CHRNB2 (0.45) CHRNB2CHRNA4GAALTA4HSMN1; SMN2
Bgp-15 SCHEMBL2325445 0.83 ABCB1 (0.46) SMN1; SMN2
Bgp-15 SCHEMBL29358886 0.83 ABCB1 (0.46) SMN1; SMN2
Bgp-15 SCHEMBL3067994 0.82 CYP2D6 (0.45) GAASMN1; SMN2ALDH1A1
Bgp-15 SCHEMBL28351041 0.82 CYP2D6 (0.45) GAASMN1; SMN2ALDH1A1
SCHEMBL8642193 0.82 HRH3 (0.43) GAASMN1; SMN2ALDH1A1DRD3
Hydrochloric Acid SCHEMBL3060405 0.81 SMN1; SMN2 (0.43) GAASMN1; SMN2NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL9426703 0.81 MAPK1 (0.44) SMN1; SMN2
SCHEMBL8482838 0.81 GAA (0.57) GAASMN1; SMN2ALDH1A1TP53DRD3

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
US-5919796-A ANTIISCHEMIC AGENTS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1999-07-06 US claimed
EP-0758315-B1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1998-08-26 EP claimed
EP-0758315-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-02-19 EP claimed
WO-1995030649-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1995-11-16 WO claimed
US-5919796-A ANTIISCHEMIC AGENTS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1999-07-06 US disclosed
EP-0758315-B1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1998-08-26 EP disclosed
EP-0758315-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-02-19 EP disclosed
WO-1995030649-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1995-11-16 WO disclosed