SCHEMBL2554043

SCHEMBL2554043

COCc1nn(-c2ccc(C)cc2C)c(Cl)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL2559955 0.90 NPBWR1 (0.38) NPBWR1CDK4CCND1CNR2MAPT
SCHEMBL2557394 0.86 CDK4 (0.39) NPBWR1CDK4CCND1CNR1CNR2
SCHEMBL15331141 0.85 PDE4A (0.39) NPBWR1KDM4EMAPTGAAHPGD
SCHEMBL15332814 0.84 CDK4 (0.36) NPBWR1CDK4CCND1CNR1CNR2
SCHEMBL2560783 0.82 GAA (0.44) NPBWR1KDM4EMAPTGAAALDH1A1
SCHEMBL15331374 0.81 OPRL1 (0.39) CNR1CNR2GAAOPRM1ALDH1A1
SCHEMBL2559829 0.81 NPBWR1 (0.45) NPBWR1MAPTGAAALDH1A1MEN1
SCHEMBL15333110 0.80 OPRM1 (0.43) NPBWR1CDK4CCND1KDM4EMAPT
SCHEMBL2562172 0.80 GAA (0.35) NPBWR1CNR2MAPTGAAALDH1A1
SCHEMBL2557712 0.80 ALDH1A1 (0.40) KDM4EMAPTGAAHPGDALDH1A1

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