SCHEMBL9535776

SCHEMBL9535776

O=C1N=NC(Cc2ccc(-c3ccccc3)cc2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
FFAR1 O14842 1/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2479409 0.89 CALM1 (0.44) LMNAGAATSHRHTTTAAR1
SCHEMBL269952 0.71 CALM1 (0.65) ABCC4LMNAGAATSHRPTGS1
SCHEMBL18970294 0.70 SORT1 (0.40) ABCC4LMNAGAATSHRPTGS1
SCHEMBL27326 0.69 CALM1 (0.71) ABCC4LMNAGAATSHRPTGS1
Methane SCHEMBL9562367 0.67 CALM1 (0.67) ABCC4LMNAGAATSHRPTGS1
SCHEMBL198432 0.66 CALM1 (0.75) ABCC4LMNAGAATSHRPTGS1
Tannin Pyrogallol SCHEMBL29187616 0.66 CALM1 (0.75) ABCC4LMNAGAATSHRPTGS1
SCHEMBL3056752 0.66 MAPT (0.39) LMNAGAAHTTRAB9AALDH1A1
SCHEMBL21249537 0.66 GRM2 (0.40) ABCC4LMNAGAATSHRPTGS1
SCHEMBL21249526 0.66 GRM2 (0.40) ABCC4LMNAGAATSHRPTGS1

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
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed