SCHEMBL2560017

SCHEMBL2560017

O=Cc1ccccc1OCc1cc(Br)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL15332130 0.85 PTGDR2 (0.55) ALDH1A1HPGDTDP1L3MBTL1POLB
SCHEMBL2561409 0.82 PTGDR2 (0.42) ALDH1A1HPGDKMT2ATDP1KDM4E
SCHEMBL2564268 0.81 SRC (0.45) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1
SCHEMBL15332065 0.80 LMNA (0.43) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2556761 0.80 CYP2A6 (0.37) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2560057 0.80 RAB9A (0.46) ALDH1A1HPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL2557096 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL15331340 0.78 LMNA (0.51) ALDH1A1HPGDHTTKMT2ATDP1
SCHEMBL2562804 0.78 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KMT2ATDP1
SCHEMBL2555993 0.78 MGMT (0.44) ALDH1A1KMT2AKDM4EPOLBPTGDR2

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