SCHEMBL2555519

SCHEMBL2555519

O=Cc1cccc(OCc2csc(C(=O)O)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.52
MAOB P27338 7/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYSLTR1 Q9Y271 7/20 0.45
CYSLTR2 Q9NS75 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
UNG P13051 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL2559956 0.85 SMN1; SMN2 (0.49) NPC1RAB9ACYSLTR1CYSLTR2SMN1; SMN2
SCHEMBL9180174 0.81 MAOA (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2556049 0.79 MRGPRX4 (0.45) NPC1RAB9ATDP1SMN1; SMN2HTT
SCHEMBL3554869 0.76 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL9179434 0.75 PPARG (0.55) MAOAMAOBMAPT
SCHEMBL9178370 0.74 TDP1 (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2557002 0.73 NPC1 (0.63) MAOAMAOBNPC1RAB9ACYSLTR1
SCHEMBL2559248 0.73 MAOA (0.71) MAOAMAOBRAB9ASMN1; SMN2
SCHEMBL3052586 0.71 KDM4E (0.63) NPC1RAB9ACYSLTR1CYSLTR2SMN1; SMN2
SCHEMBL3052584 0.71 KDM4E (0.63) NPC1RAB9ACYSLTR1CYSLTR2SMN1; SMN2

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