SCHEMBL10740425

SCHEMBL10740425

C=CCOc1ccc(-c2nc3cnncc3[nH]2)c(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAOA P21397 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9636522 0.87 MAOA (0.38) LMNASMN1; SMN2NPSR1MAOAMAPT
SCHEMBL10738584 0.86 NPC1 (0.45) LMNASMN1; SMN2NPSR1MAPTMEN1
SCHEMBL10739674 0.84 LMNA (0.39) LMNASMN1; SMN2NPSR1MAOAMAPT
SCHEMBL10733296 0.83 PDE2A (0.46) LMNASMN1; SMN2NPSR1MAOAMAPT
SCHEMBL10742005 0.83 AMY1A (0.46) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL10740172 0.83 KDM4E (0.33) LMNASMN1; SMN2NPSR1MAPTGAA
SCHEMBL10740389 0.83 TOP1 (0.39) LMNASMN1; SMN2MAOAMAPTALDH1A1
SCHEMBL10742807 0.81 LMNA (0.38) LMNASMN1; SMN2NPSR1MAOAMAPT
SCHEMBL10737760 0.80 PDE5A (0.35) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL10739601 0.79 PDE2A (0.46) LMNASMN1; SMN2NPSR1MAPTMEN1

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
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 — — EP disclosed
Send feedback