SCHEMBL2559950

SCHEMBL2559950

OB(O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
CTSS P25774 2/20 0.49
KMO O15229 2/20 0.48
MGLL Q99685 1/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL2553996 0.87 KDM1A (0.56) KDM1ACTSSKMOMGLLCNR2
SCHEMBL2558500 0.82 MGLL (0.43) MGLLTRPV3
SCHEMBL2560584 0.81 TRPV3 (0.46) CTSSTRPV3XDHCTSK
SCHEMBL2553757 0.74 MGLL (0.45) KDM1ACTSSKMOMGLLKDM4E
SCHEMBL2556824 0.74 MGLL (0.45) CTSSKMOMGLLIDO1KDM4E
SCHEMBL19865072 0.74 KDM1A (0.62) KDM1ACTSSKMOIDO1KDM4E
SCHEMBL13854087 0.73 CTSS (0.58) KDM1ACTSSKMOCNR2IDO1
SCHEMBL2559835 0.73 MGLL (0.51) KDM1ACTSSKMOMGLLPIK3CD
SCHEMBL2553174 0.73 KMO (0.48) KDM1ACTSSKMOMGLLPIK3CD
SCHEMBL2558144 0.73 KMO (0.44) KMOMGLLCNR2ALDH1A1

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