SCHEMBL27450620

SCHEMBL27450620

CCCC(O)CN(C(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1)[SH](=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.55
▸ LMNA P02545 3/20 0.37
▸ VDR P11473 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MC4R P32245 1/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL27449185 0.88 PPARG (0.53) PPARGLMNAVDRSMN1; SMN2MC4R
SCHEMBL27465432 0.85 PPARG (0.53) PPARGLMNAVDRSMN1; SMN2MC4R
SCHEMBL27450180 0.85 PPARG (0.53) PPARGLMNAVDRSMN1; SMN2MC4R
SCHEMBL7650603 0.79 PPARG (0.75) PPARGLMNAHDAC3HDAC4HDAC1
SCHEMBL27467908 0.78 PPARG (0.54) PPARGLMNAVDRSMN1; SMN2HDAC3
SCHEMBL6170044 0.77 PPARG (0.64) PPARGLMNAVDRSMN1; SMN2HDAC3
SCHEMBL27524156 0.77 PPARG (0.47) PPARGSMN1; SMN2MC4RALDH1A1ALOX5AP
SCHEMBL27450178 0.77 PPARG (0.53) PPARGSMN1; SMN2MC4RHDAC3HDAC4
Pentane SCHEMBL6792287 0.77 PPARG (0.64) PPARGLMNAVDRSMN1; SMN2HDAC3
SCHEMBL6169108 0.77 PPARG (0.63) PPARGLMNAVDRSMN1; SMN2HDAC3

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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