SCHEMBL9251890

SCHEMBL9251890

c1ccc2[nH]c(OCC3CC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
IDO1 P14902 1/20 0.48
LTA4H P09960 5/20 0.44
KDM4C Q9H3R0 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB11 O95342 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL132762 0.80 NPC1 (0.48) LTA4HNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2675687 0.78 DDAH1 (0.56) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL23123293 0.76 ALDH1A1 (0.48) IDO1LTA4HKDM4CNPC1RAB9A
SCHEMBL7419107 0.76 SMN1; SMN2 (0.48) IDO1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL3974150 0.73 RAB9A (0.53) LTA4HNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9118233 0.73 GAA (0.53) KDM4CNPC1RAB9ASMN1; SMN2TP53
SCHEMBL139718 0.73 LTA4H (0.46) LTA4HNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7857823 0.73 ALDH1A1 (0.58) IDO1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL1825671 0.73 IDO1 (0.79) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29989874 0.72 MEN1 (0.50) LTA4HNPC1RAB9ASMN1; SMN2TP53

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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed