SCHEMBL8995313

SCHEMBL8995313

O=[C]c1ccc(OCCn2ccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.74
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 1/20 0.68
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
NOS1 P29475 1/20 0.63
LTA4H P09960 1/20 0.62

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
SCHEMBL8995361 0.93 QPCT (0.69) TBXAS1KDM4EKMT2AMEN1LMNA
SCHEMBL7303484 0.85 TBXAS1 (1.00) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL8995200 0.84 TBXAS1 (0.52) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL4131855 0.82 TBXAS1 (0.70) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL10785887 0.81 KDM4E (0.72) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL76839 0.81 KDM4E (0.72) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL8684965 0.81 MAPK1 (1.00) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL305632 0.81 ALDH1A1 (0.72) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL8690248 0.81 KMT2A (0.83) TBXAS1KDM4EALDH1A1MAPK1KMT2A
SCHEMBL13246359 0.81 QPCT (0.85) TBXAS1KDM4EALDH1A1MAPK1KMT2A

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-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP disclosed