SCHEMBL3686459

SCHEMBL3686459

CN1CCN(c2ccc(C=O)cc2Br)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
ALDH1A3 P47895 8/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH3A1 P30838 2/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3694793 0.89 ALDH1A1 (0.57) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL236991 0.83 ALDH1A3 (0.66) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL19212190 0.81 ALDH1A3 (0.46) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL27899384 0.81 ALDH1A1 (0.59) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL19137930 0.81 ALDH1A1 (0.73) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL5179998 0.81 ALDH1A3 (0.69) ALDH1A1ALDH1A3MAPTGAASMN1; SMN2
SCHEMBL29707378 0.78 LMNA (0.47) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL17756944 0.78 LMNA (0.47) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL27899382 0.77 ALDH1A1 (0.51) ALDH1A1ALDH1A3MAPTMEN1KMT2A
SCHEMBL27899339 0.77 ALDH1A1 (0.54) ALDH1A1ALDH1A3MAPTMEN1KMT2A

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 4 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed