SCHEMBL7962804

SCHEMBL7962804

CCC(Oc1cccc2c1CCc1sc(S(=O)(=O)C(c3ccccc3)c3ccc([N+](=O)[O-])cc3)nc1-2)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
EIF4E P06730 3/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
PPARD Q03181 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7976474 0.92 PPARA (0.36) KMT2AMEN1ALDH1A1PPARAPPARG
SCHEMBL7524456 0.86 PTGDR2 (0.38) KMT2AMEN1ALDH1A1EIF4EPPARD
SCHEMBL7976488 0.85 MEN1 (0.33) KMT2AMEN1ALDH1A1PPARAPPARG
SCHEMBL7962801 0.84 PPARA (0.35) KMT2AMEN1PPARAPPARGEIF4E
SCHEMBL7976487 0.79 PPARA (0.37) KMT2AMEN1ALDH1A1PPARAPPARG
SCHEMBL7521850 0.77 PPARA (0.37) KMT2AALDH1A1PPARAPPARGNPC1
SCHEMBL7520084 0.77 PTGIR (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7974229 0.76 MAPT (0.38) KMT2AMEN1ALDH1A1EIF4ERAB9A
SCHEMBL7974227 0.76 MAPT (0.38) KMT2AMEN1ALDH1A1EIF4ERAB9A
SCHEMBL7521207 0.76 PTGIR (0.39) NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed