SCHEMBL3688916

SCHEMBL3688916

COc1ccc(C(=O)C=Cc2cc(-c3ccccc3OC)ccc2N2CCN(C(C)=O)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
CPS1 P31327 4/20 0.43
ITGAL P20701 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
NPY2R P49146 1/20 0.42
MAPT P10636 3/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL14280887 0.91 LMNA (0.48) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3694917 0.91 LMNA (0.48) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3696107 0.91 ITGAL (0.48) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3688915 0.91 ITGAL (0.48) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3685103 0.90 ABCB1 (0.45) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3685105 0.90 ABCB1 (0.45) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3693494 0.88 LMNA (0.45) MEN1LMNAKMT2AHPGDGAA
SCHEMBL4879941 0.88 LMNA (0.46) MEN1LMNAKMT2AHPGDGAA
SCHEMBL4879944 0.88 LMNA (0.46) MEN1LMNAKMT2AHPGDGAA
SCHEMBL3687219 0.88 MEN1 (0.44) MEN1LMNAKMT2AHPGDGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed