SCHEMBL27710941

SCHEMBL27710941

O=C(C(Cc1nn[nH]n1)c1ccccc1)C(Cc1nn[nH]n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
FFAR2 O15552 5/20 0.46
HTT P42858 1/20 0.46
PIN1 Q13526 1/20 0.44
APEX1 P27695 1/20 0.43
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL27723024 0.76 EPHX1 (0.40) L3MBTL1HTTEPHX1
SCHEMBL27710943 0.75 L3MBTL1 (0.40) L3MBTL1FFAR2HTTPIN1APEX1
SCHEMBL29979933 0.72 TACR1 (0.42) L3MBTL1FFAR2PIN1ALDH1A1
SCHEMBL27738471 0.72 HPGD (0.56) ALDH1A1TSHREPHX1
SCHEMBL27600068 0.70 EPHX1 (0.71) EPHX1
SCHEMBL1449520 0.69 HTT (0.65) L3MBTL1HTTPIN1ALDH1A1CA12
SCHEMBL16017456 0.68 PIN1 (0.42) L3MBTL1FFAR2HTTPIN1KEAP1
SCHEMBL27558033 0.68 CYP2C19 (0.47) ALDH1A1EPHX1
SCHEMBL27511043 0.67 CHRM1 (0.61) HTTALDH1A1TSHREPHX1
SCHEMBL4935067 0.66 LMNA (0.61) HTTALDH1A1

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
CN-101061115-A 2-acylaminothiazole derivatives LUNDBECK & CO AS H (DK) 2007-10-24 CN disclosed