SCHEMBL8735277

SCHEMBL8735277

CN(C)CC#CC1=CC(O)(CO)C=C(Br)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6058559 0.77 KDM1A (0.41) KDM1A
SCHEMBL5608796 0.76 KDM1A (0.33) KDM1A
SCHEMBL8737332 0.67 KDM1A (0.33) KDM1AMEN1KMT2A
SCHEMBL5608315 0.63 KDM1A (0.30) KDM1A
SCHEMBL8735278 0.61
SCHEMBL8136691 0.59 CYP2A6 (0.61) MEN1KMT2A
SCHEMBL8735355 0.55 MAPT (0.34) MEN1KMT2A
SCHEMBL8735310 0.55 KDM1A (0.33) KDM1A
SCHEMBL7751231 0.55 KCNH2 (0.59) MEN1KMT2A
SCHEMBL8131431 0.55 CYP2A6 (0.42) MEN1KMT2A

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-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO disclosed