SCHEMBL2557536

SCHEMBL2557536

C=C(Br)COc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL2555934 0.84 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8012997 0.84 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL353914 0.80 MAOA (0.61) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29952429 0.80 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL2285133 0.79 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL17710816 0.79 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2281419 0.79 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22322063 0.78 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2871692 0.78 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5708665 0.77 MAOA (0.54) 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