SCHEMBL2551600

SCHEMBL2551600

COc1ccc(-c2nn(C)c(Cl)c2C=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ERN1 O75460 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A1 P04798 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP4B1 P13584 1/20 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
SCHEMBL2559007 0.90 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2BRD4GAAMAPK1
SCHEMBL15330624 0.85 ALDH1A1 (0.43) ALDH1A1ERN1SMN1; SMN2BRD4TP53
SCHEMBL15330873 0.84 ALDH1A1 (0.40) ALDH1A1ERN1SMN1; SMN2TP53GAA
SCHEMBL15332242 0.83 BRD4 (0.45) ALDH1A1ERN1SMN1; SMN2BRD4GAA
SCHEMBL2561766 0.82 ADORA3 (0.45) ALDH1A1SMN1; SMN2TP53HTTKDM4E
SCHEMBL15330077 0.80 KMT2A (0.45) ALDH1A1SMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL15331791 0.78 CYP1A2 (0.46) ALDH1A1ERN1SMN1; SMN2BRD4TP53
SCHEMBL2559813 0.77 SRC (0.38) ALDH1A1ERN1BRD4GAACYP1A2
SCHEMBL15330907 0.77 CYP1A2 (0.39) ALDH1A1ERN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL15330426 0.76 TDP2 (0.43) ALDH1A1ERN1SMN1; SMN2TP53MAPK1

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