SCHEMBL9024628

SCHEMBL9024628

C=CCc1c(C)nc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MCL1 Q07820 1/20 0.52
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
PIM1 P11309 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9368600 0.80 NPSR1 (0.41) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL9024339 0.78 NPSR1 (0.70) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL9025057 0.78 TNKS2 (0.42) NPSR1ALDH1A1HPGDHTTKMT2A
SCHEMBL9025566 0.76 KDM4E (0.51) NPSR1ALDH1A1HPGDHTTKMT2A
SCHEMBL9024465 0.67 PKM (0.40) ALDH1A1HPGDHTTHCAR2LMNA
SCHEMBL5957180 0.65 NPSR1 (0.51) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL9025130 0.65 NPSR1 (0.37) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL15556424 0.64 CSNK2A1 (0.44) NPSR1ALDH1A1HPGDL3MBTL1HTT
SCHEMBL2897468 0.64 KDM4E (0.55) NPSR1ALDH1A1HPGDL3MBTL1HTT
SCHEMBL20470626 0.63 MAPT (0.41) NPSR1ALDH1A1HPGDL3MBTL1HTT

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-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed