SCHEMBL2560686

SCHEMBL2560686

COc1cccc(C=O)c1OCc1sccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERN1 O75460 2/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3A P49840 1/20 0.37
KEAP1 Q14145 1/20 0.37
PRKDC P78527 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL2555991 0.89 LMNA (0.43) SRCNPC1RAB9AERN1TLR2
SCHEMBL29951423 0.81 ALDH1A1 (0.53) SRCSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2564268 0.78 SRC (0.45) SRCNPC1RAB9AERN1TLR2
SCHEMBL2554826 0.75 ALDH1A1 (0.52) ERN1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2556665 0.75 RAB9A (0.45) NPC1RAB9AERN1SMN1; SMN2ALDH1A1
SCHEMBL29952934 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL28129638 0.74 KDM4E (0.60) SRCNPC1RAB9AERN1L3MBTL1
SCHEMBL1125006 0.74 KDM4E (0.60) SRCNPC1RAB9AERN1L3MBTL1
SCHEMBL2559995 0.73 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL29956698 0.73 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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