SCHEMBL2558725

SCHEMBL2558725

O=C(O)CNCc1ccccc1N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.59
FABP4 P15090 1/20 0.59
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 4/20 0.55
LIPG Q9Y5X9 2/20 0.48
KCNQ2 O43526 2/20 0.48
PKM P14618 1/20 0.46
GFER P55789 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATM Q13315 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
NPC1 O15118 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
SCHEMBL2558196 0.88 KMT2A (0.59) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL2559002 0.86 KMT2A (0.57) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL2936357 0.81 FABP3 (0.65) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL2755880 0.80 FABP3 (0.67) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL18532643 0.80 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL15330885 0.80 FABP3 (0.52) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL8683997 0.79 FABP3 (0.55) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL29956353 0.78 FABP3 (0.54) FABP3FABP4KMT2AMEN1KDM4E
SCHEMBL2555538 0.78 FABP3 (0.54) FABP3FABP4KMT2AMEN1KDM4E
Bromide SCHEMBL8998015 0.78 FABP3 (0.53) FABP3FABP4KMT2AMEN1KDM4E

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