SCHEMBL2563498

SCHEMBL2563498

CC(=O)c1cccc(OC2(C(=O)O)CCSC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOA P21397 3/20 0.39
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2556812 0.85 MAPT (0.42) MAOBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL2559861 0.82 MAOB (0.49) MAOBKMT2AMEN1CYP1A2RAB9A
SCHEMBL2555944 0.82 SRC (0.41) MAOBKMT2AMEN1RAB9ANPC1
SCHEMBL2551684 0.81 MAOB (0.48) MAOBKMT2AMEN1CYP1A2RAB9A
SCHEMBL2561281 0.80 MAOB (0.47) MAOBKMT2AMEN1CYP1A2RAB9A
SCHEMBL2559418 0.74 SRC (0.40) MAOBKMT2AMEN1RAB9ANPC1
SCHEMBL2553808 0.72 KMT2A (0.37) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17859479 0.68 LMNA (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL25620248 0.68 MEN1 (0.71) MAOBKMT2AMEN1CYP1A2RAB9A
SCHEMBL2350424 0.67 AKR1C3 (0.72) MAOBKMT2AMEN1CYP1A2RAB9A

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