SCHEMBL2555413

SCHEMBL2555413

CNC(=O)COc1ccc(C=O)cc1Br

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
POLB P06746 1/20 0.52
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
CTSL P07711 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE4B Q07343 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2562451 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAANPC1
SCHEMBL15331633 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBGAANPC1
SCHEMBL28590760 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBHPGDLMNA
SCHEMBL2274877 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL2552984 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL28608267 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBHPGDMAPT
SCHEMBL15332288 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL15332128 0.83 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2POLBHPGDLMNA
SCHEMBL2558600 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBGAANPC1
SCHEMBL2559313 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed