SCHEMBL2557532

SCHEMBL2557532

COc1cccc(-n2cc(C=O)c(C(=O)O)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NLRP3 Q96P20 1/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
NOTUM Q6P988 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 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
SCHEMBL2555928 0.85 MEN1 (0.59) MEN1KMT2ANLRP3LMNAALDH1A1
SCHEMBL2561726 0.84 KMT2A (0.60) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL15330476 0.83 PKM (0.51) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL29953592 0.82 PTGS2 (0.59) MEN1KMT2ANLRP3LMNAALDH1A1
SCHEMBL2560709 0.82 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL28854035 0.82 LMNA (0.54) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL718967 0.81 MEN1 (0.53) MEN1KMT2ANLRP3LMNAALDH1A1
SCHEMBL16578384 0.80 LMNA (0.52) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL29956167 0.79 POLB (0.51) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL719895 0.78 MEN1 (0.50) MEN1KMT2ANLRP3LMNAALDH1A1

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