SCHEMBL6791341

SCHEMBL6791341

O=S(=O)(c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1)N1CCNC(CCN2CCCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.35
HTR6 P50406 5/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
PAX8 Q06710 1/20 0.34
ACLY P53396 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 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
SCHEMBL6736082 0.89 PPARG (0.41) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6733146 0.87 PPARG (0.45) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6731589 0.86 PPARG (0.41) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6728741 0.85 PPARG (0.41) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL6733597 0.85 PPARG (0.38) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6725421 0.84 PPARG (0.43) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6730522 0.83 PPARG (0.39) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6737263 0.83 PPARG (0.39) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL6725126 0.82 PPARG (0.41) PPARGPPARAPPARDOPRK1ALDH1A1
SCHEMBL6732137 0.82 PPARG (0.44) PPARGPPARAPPARDALDH1A1LMNA

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed