SCHEMBL13368611

SCHEMBL13368611

CCc1nn(S(=O)(=O)c2ccc(OC)cc2)c2cc(OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ HTR6 P50406 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL13947533 0.90 HTR6 (0.48) MAPTKMT2AMEN1RAPGEF4POLB
SCHEMBL3036911 0.83 PPARG (0.56) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL10271492 0.75 HASPIN (0.46) MAPTALDH1A1
SCHEMBL3030572 0.74 PPARG (0.62) MAPTKMT2APOLBHTR6ALDH1A1
SCHEMBL9948843 0.73 HTR6 (0.48) MAPTKMT2AMEN1HTR6ALDH1A1
SCHEMBL6970702 0.68 HTR6 (0.47) MAPTKMT2AMEN1POLBPKM
SCHEMBL30302199 0.67 ALDH1A1 (0.49) MAPTKMT2ARAB9AHTR6ALDH1A1
SCHEMBL10271494 0.66 HSD17B10 (0.45) MAPTKMT2AMEN1POLBHTR6
SCHEMBL6968667 0.66 HTR6 (0.48) MAPTKMT2AMEN1POLBPKM
SCHEMBL11130954 0.65 MAPT (0.53) MAPTKMT2AMEN1POLBRAB9A

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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 — — US disclosed
Send feedback