SCHEMBL2559752

SCHEMBL2559752

Cc1nccc(B(O)O)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
IKBKB O14920 1/20 0.46
SLC11A2 P49281 1/20 0.46
KMO O15229 2/20 0.44
MGLL Q99685 1/20 0.44
TGFBR1 P36897 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XDH P47989 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SLC6A7 Q99884 1/20 0.40
PIN1 Q13526 1/20 0.40
KDM1A O60341 1/20 0.40
SCN2A Q99250 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.39
TOP2A P11388 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
SCHEMBL2558144 0.86 KMO (0.44) BRD4IKBKBSLC11A2KMOMGLL
SCHEMBL2553308 0.84 KIF11 (0.43) SLC11A2MGLL
SCHEMBL2562179 0.81 TDO2 (0.47) BRD4IKBKBKMOMGLLALDH1A1
SCHEMBL2559903 0.80 DYRK1A (0.44) XDHSLC6A7
SCHEMBL2562867 0.78 TDO2 (0.47) KMOMGLLALDH1A1SCN2ATOP2A
SCHEMBL2553996 0.74 KDM1A (0.56) BRD4KMOMGLLALDH1A1SMN1; SMN2
SCHEMBL15330557 0.74 TDO2 (0.46) BRD4IKBKBKMOMGLLALDH1A1
SCHEMBL16806015 0.73 TDO2 (0.50) BRD4IKBKBKMOALDH1A1SMN1; SMN2
SCHEMBL2553174 0.72 KMO (0.48) KMOMGLLALDH1A1KDM1ASCN2A
SCHEMBL2556657 0.72 MGLL (0.47) BRD4IKBKBKMOMGLLALDH1A1

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