SCHEMBL13846512

SCHEMBL13846512

NC(=S)Nc1c(Br)cc(N)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 3/20 0.38
▸ PLK1 P53350 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAS2R38 P59533 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL5450263 0.84 GAA (0.46) GAAL3MBTL1MAPTKMT2APLK1
SCHEMBL1192648 0.81 GAA (0.67) GAAL3MBTL1MAPTKMT2APLK1
SCHEMBL2912546 0.76 KMT2A (0.48) GAAL3MBTL1MAPTKMT2APLK1
SCHEMBL11534703 0.76 L3MBTL1 (0.61) GAAL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL14415150 0.72 ALDH1A1 (0.44) GAAL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL31389883 0.69 KMT2A (0.41) GAAL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL21055027 0.69 ALOX12 (0.42) L3MBTL1MAPTKMT2AALDH1A1TSHR
SCHEMBL11918917 0.68 ALDH1A1 (0.56) L3MBTL1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL10911325 0.64 L3MBTL1 (0.52) GAAL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL219165 0.64 ALDH1A1 (0.48) GAAL3MBTL1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
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