SCHEMBL2556427

SCHEMBL2556427

CC(Oc1ccc2ccccc2c1C=O)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ERN1 O75460 1/20 0.46
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NCEH1 Q6PIU2 3/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL2563368 0.87 CYP1A2 (0.71) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL15330210 0.84 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2557347 0.83 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL3267842 0.82 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2557041 0.80 MAPT (0.57) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL11807725 0.80 NCEH1 (0.54) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL5941038 0.79 ALDH1A1 (0.49) CYP1A2CYP2C19L3MBTL1GAATDP1
SCHEMBL31376353 0.79 ALDH1A1 (0.49) CYP1A2CYP2C19L3MBTL1GAATDP1
Benzene SCHEMBL27947280 0.78 PPARG (0.50) L3MBTL1GAATDP1KDM4EHPGD
SCHEMBL2641393 0.77 NCEH1 (0.58) MAPTCYP1A2CYP2C9CYP2C19GAA

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