SCHEMBL6134243

SCHEMBL6134243

CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(CNC(=O)O)cc3Cl)c2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.58
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.35
ENPP2 Q13822 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL6299033 0.92 PPARG (0.61) PPARGALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL6299265 0.91 PPARG (0.58) PPARGALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL6489866 0.89 PPARG (0.61) PPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL6299715 0.88 PPARG (0.73) PPARGALDH1A1MAPTSMN1; SMN2HDAC3
SCHEMBL6299907 0.87 PPARG (0.54) PPARGALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL6306107 0.87 PPARG (0.61) PPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL6299466 0.86 PPARG (0.59) PPARGALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL6504715 0.86 PPARG (0.60) PPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL6492946 0.86 PPARG (0.57) PPARGALDH1A1MAPTSMN1; SMN2
SCHEMBL6299056 0.86 PPARG (0.69) PPARGALDH1A1MAPTSMN1; 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
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US claimed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed