SCHEMBL7402248

SCHEMBL7402248

O=C(COc1ccccc1)c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
ALPL P05186 2/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
NOTUM Q6P988 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 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
SCHEMBL2421709 0.80 KMT2A (0.42) KMT2AMAPTRAB9ANPC1
SCHEMBL30906047 0.79 HTR2C (0.37) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6037395 0.77 KMT2A (0.47) GAAKMT2AMAPTRAB9ANPC1
SCHEMBL11836426 0.77 KMT2A (0.47) ALOX15KMT2AMAPTRAB9ANPC1
SCHEMBL2423520 0.76 NPC1 (0.45) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24844709 0.76 MMP12 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6432858 0.75 KMT2A (0.46) GAAKMT2AMAPTRAB9ANPC1
SCHEMBL19207864 0.75 GRM4 (0.46) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL29415689 0.75 GRM4 (0.46) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL640542 0.74 ALPL (0.62) GAALMNAMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711162-A4 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS DU PONT MERCK PHARMA (US) 1996-09-04 EP disclosed
US-5545651-A HYPOTENSIVE AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-13 US disclosed
EP-0711162-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-15 EP disclosed
US-5395844-A Hypotensive agents; congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-07 US disclosed
WO-1994028896-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-22 WO disclosed