SCHEMBL3682374

SCHEMBL3682374

COc1ccc(OC)c(C(=O)/C=C/c2ccccc2NCCCN(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.52
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
TNFRSF1A P19438 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KLF5 Q13887 1/20 0.44

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
SCHEMBL3687942 1.00 MAPT (0.56) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3697931 0.95 MAPT (0.57) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3684123 0.95 MAPT (0.57) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3694918 0.92 ABCG2 (0.59) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3697030 0.92 ABCG2 (0.59) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3682377 0.88 PDE4A (0.56) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3689543 0.87 ABCG2 (0.60) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3688287 0.87 ABCG2 (0.60) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL3694922 0.86 MAPT (0.57) MAPTLMNASMN1; SMN2ABCG2PDE4A
SCHEMBL4851327 0.85 MAPT (0.59) MAPTLMNAGAAATMSMN1; SMN2

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-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