SCHEMBL2557739

SCHEMBL2557739

OB(O)c1ccc(CN2Cc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BACE1 P56817 1/20 0.46
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOS1 P29475 1/20 0.43
HDAC1 Q13547 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F11 P03951 1/20 0.41
POLB P06746 1/20 0.41
CA4 P22748 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
SCHEMBL2560767 0.81 ENPP2 (0.51) HDAC1ALDH1A1LPLLIPGDRD3
SCHEMBL6672942 0.78 SIGMAR1 (0.62) BACE1DRD3KCNH2POLBSIGMAR1
Hydrochloric Acid SCHEMBL16713355 0.77 SIGMAR1 (0.60) BACE1DRD3KCNH2SIGMAR1
SCHEMBL30052671 0.76 LMNA (0.63) MEN1KMT2ABACE1NOS1ALDH1A1
SCHEMBL3160288 0.76 LMNA (0.56) MEN1KMT2ABACE1HPGDCYP3A4
SCHEMBL3240403 0.76 MEN1 (0.46) MEN1KMT2ABACE1HPGDCYP3A4
SCHEMBL2557827 0.76 HRH3 (0.65) CYP2D6CYP2C19HDAC1ALDH1A1HDAC6
SCHEMBL2320439 0.75 LMNA (0.61) HPGDALDH1A1HDAC6LPLLIPG
SCHEMBL17618296 0.74 SIGMAR1 (0.46) MEN1KMT2ABACE1CYP2D6CYP2C19
SCHEMBL1427526 0.74 HRH3 (0.69) MEN1KMT2ACYP2D6CYP2C19ALDH1A1

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