SCHEMBL15330907

SCHEMBL15330907

COc1cc(OC)cc(-c2nn(C)c(Cl)c2C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1B1 Q16678 6/20 0.37
CYP1A1 P04798 5/20 0.37
ERN1 O75460 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP4B1 P13584 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP2A7 P20853 2/20 0.33
CYP3A7 P24462 2/20 0.33

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
SCHEMBL15331791 0.86 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19ERN1SMN1; SMN2
SCHEMBL15330077 0.85 KMT2A (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL15331614 0.82 CYP1B1 (0.37) CYP1A2CYP2C9CYP2C19CYP1B1CYP1A1
SCHEMBL15332157 0.82 RIPK2 (0.39) CYP1A2CYP2C9CYP2C19CYP1B1CYP1A1
SCHEMBL15331307 0.81 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL2557824 0.80 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL15330426 0.79 TDP2 (0.43) ERN1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2552652 0.79 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL2558524 0.79 KMT2A (0.43) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL2559007 0.77 L3MBTL1 (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1

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 5 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