SCHEMBL8070529

SCHEMBL8070529

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(C(O)Cn2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CYP51A1 Q16850 1/20 0.43
HMOX1 P09601 1/20 0.43
TBXAS1 P24557 5/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8447053 0.88 CYP19A1 (0.43) CYP19A1CYP51A1
Hydrochloric Acid SCHEMBL8059719 0.87 CYP19A1 (0.42) CYP19A1CYP51A1
SCHEMBL8059431 0.84 CYP19A1 (0.51) CYP19A1CYP51A1TBXAS1MEN1LMNA
SCHEMBL8068480 0.79 CYP19A1 (0.55) CYP19A1TBXAS1KMT2A
SCHEMBL8073502 0.75 TTR (0.51)
SCHEMBL8070681 0.75 MAPT (0.42) MEN1LMNAKMT2A
SCHEMBL8070558 0.74 CYP24A1 (0.39) KMT2A
SCHEMBL11263221 0.73 CYP19A1 (0.63) CYP19A1CYP51A1HMOX1
SCHEMBL11274680 0.73 CYP19A1 (0.63) CYP19A1CYP51A1HMOX1TBXAS1
SCHEMBL8068490 0.73 TTR (0.44) KMT2A

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-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed