SCHEMBL8315382

SCHEMBL8315382

CCN(CC)c1nc(N)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 3/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
CYP3A4 P08684 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
SCHEMBL15598170 0.85 ALDH1A1 (0.33) KDM4EKMT2AALDH1A1CYP1A2NPC1
SCHEMBL16921861 0.74 NPC1 (0.35) ALDH1A1CYP1A2NPC1TP53RAB9A
SCHEMBL15597789 0.73
SCHEMBL16922004 0.69 HRH3 (0.33) ALDH1A1
SCHEMBL16921943 0.68 ALPL (0.33) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL15598000 0.68 KDM4E (0.31) KDM4EKMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL16921911 0.68 HRH4 (0.31) KDM4EKMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL16921979 0.67 HRH3 (0.45) ALDH1A1NPC1TP53RAB9ATSHR
SCHEMBL16922031 0.66 CTH (0.36)
SCHEMBL15598049 0.66 CTH (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed