SCHEMBL13258404

SCHEMBL13258404

O=c1c2cc[nH]c2ncn1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.56
ESR1 P03372 10/20 0.56
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42

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
SCHEMBL13257465 0.81 ESR2 (0.54) ESR2ESR1
SCHEMBL2565882 0.76 PIK3CD (0.45) TTBK1
SCHEMBL4462170 0.72 ESR2 (0.72) ESR2ESR1
SCHEMBL1795123 0.72 ESR2 (1.00) ESR2ESR1
SCHEMBL23505912 0.70 PRKCI (0.43)
SCHEMBL13257467 0.69 ALDH1A1 (0.34) ESR2ESR1TTBK1TTBK2
SCHEMBL13257531 0.69 LMNA (0.44) ESR2ESR1
SCHEMBL14038593 0.68 ESR2 (0.78) ESR2ESR1
SCHEMBL7014104 0.67 PRKCI (0.40)
SCHEMBL13257517 0.66 LMNA (0.39) ESR2ESR1

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
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed