SCHEMBL8685263

SCHEMBL8685263

CCOC(=O)c1ccc(OCCn2ccnc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.88
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL10749951 0.94 TBXAS1 (1.00) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL29980572 0.92 TBXAS1 (0.91) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL8690701 0.87 TBXAS1 (0.75) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL10861586 0.86 TBXAS1 (0.69) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL10676008 0.85 TBXAS1 (0.69) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL10748096 0.85 TBXAS1 (1.00) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL8690308 0.84 TBXAS1 (0.78) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL10676393 0.83 TBXAS1 (0.66) TBXAS1KDM4EALDH1A1LMNAMEN1
Dazoxiben SCHEMBL11554 0.83 TBXAS1 (1.00) TBXAS1KDM4EALDH1A1LMNAMEN1
SCHEMBL502376 0.82 TBXAS1 (0.65) TBXAS1ALDH1A1LMNAMEN1KMT2A

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-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed