SCHEMBL4430535

SCHEMBL4430535

COc1cc(/C=C2/SC(NCCN)=NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 15/20 0.62
ESRRB O95718 1/20 0.62
ESR1 P03372 1/20 0.62
ESRRG P62508 1/20 0.62
ESR2 Q92731 1/20 0.62
CYP3A4 P08684 2/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4430537 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8161227 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
Hydrochloric Acid SCHEMBL4990170 0.99 ESRRA (0.61) ESRRAESRRBESR1ESRRGESR2
Hydrochloric Acid SCHEMBL4990166 0.99 ESRRA (0.61) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8166120 0.94 ESRRA (0.65) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4442826 0.94 ESRRA (0.65) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4442824 0.94 ESRRA (0.65) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8159632 0.92 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4432027 0.92 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4435428 0.92 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2

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
EP-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed