SCHEMBL27448718

SCHEMBL27448718

CCCCCN(C(=O)c1ccc2nc(C)n(Cc3ccc(-c4ccco4)cc3Cl)c2c1)[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.48
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL27548491 0.85 PPARG (0.48) PPARGMAPTALDH1A1HDAC3HDAC4
SCHEMBL27450178 0.84 PPARG (0.53) PPARGMAPTPOLBALDH1A1HPGD
SCHEMBL6307965 0.83 PPARG (0.47) PPARGMAPTPOLBALDH1A1MEN1
SCHEMBL27465431 0.83 PPARG (0.52) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6389924 0.81 PPARG (0.46) PPARGMAPTPOLBALDH1A1KDM4E
SCHEMBL6134452 0.81 PPARG (0.75) PPARGMAPTPOLBALDH1A1KDM4E
SCHEMBL6134751 0.80 PPARG (0.71) PPARGMAPTPOLBALDH1A1KDM4E
SCHEMBL6307886 0.79 PPARG (0.58) PPARGMAPTPOLBALDH1A1KDM4E
SCHEMBL27449644 0.79 PPARG (0.76) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL27449649 0.78 PPARG (0.48) PPARGMC4R

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
CN-1135224-C Benzimidazole derivatives ����ҩƷ��ҵ��ʽ���� 2004-01-21 — — CN disclosed
CN-1268123-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-27 — — CN disclosed
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