SCHEMBL2563987

SCHEMBL2563987

O=Cc1cc(-c2cccnc2C(=O)O)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MYC P01106 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.38
METAP2 P50579 2/20 0.37
ATM Q13315 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
EIF4E P06730 1/20 0.36
LMNA P02545 2/20 0.35
NAPRT Q6XQN6 2/20 0.35

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
SCHEMBL2835947 0.78 CYP2A6 (0.41) MAPTCYP2A6METAP2
SCHEMBL2561896 0.77 KDM4E (0.56) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL2559758 0.76 KDM4E (0.33) KDM4EMAPTALDH1A1EIF4ESMN1; SMN2
SCHEMBL2560830 0.76 KDM4E (0.47) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL15333039 0.76 NPC1 (0.50) KDM4EL3MBTL1ALDH1A1CYP3A4ALOX15
SCHEMBL15331392 0.75 TRIM24 (0.51) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL2560009 0.75 CYP3A4 (0.48) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL28279600 0.75 KDM4E (0.53) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL287699 0.74 KDM4E (0.57) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL6288530 0.73 KDM4E (0.47) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4

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