SCHEMBL2555178

SCHEMBL2555178

O=Cc1cccc(OCC(=O)c2sccc2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.47
MAOB P27338 7/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRC P12931 1/20 0.40
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2557366 0.84 ALDH1A1 (0.42) NPC1RAB9AMAPTPOLBIDO1
SCHEMBL2557453 0.78 RAB9A (0.41) NPC1RAB9ATDP1MAPTPOLB
SCHEMBL29956369 0.76 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL353914 0.73 MAOA (0.61) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL17710816 0.72 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2281419 0.72 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2285133 0.72 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2279693 0.72 SMN1; SMN2 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2557536 0.71 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1959473 0.70 CYSLTR2 (0.57) MAOAMAOBNPC1RAB9ATDP1

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