SCHEMBL2553174

SCHEMBL2553174

Cc1cnc(-c2cccc(C(F)(F)F)c2)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
IDO1 P14902 1/20 0.47
KDM1A O60341 2/20 0.45
MAOB P27338 1/20 0.45
DHODH Q02127 1/20 0.44
MGLL Q99685 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL2556881 0.86 KMO (0.48) KMOIDO1KDM1AMAOBDHODH
SCHEMBL2559931 0.84 TDO2 (0.46) IDO1KDM1AMAOBMGLLALDH1A1
SCHEMBL2555305 0.80 DYRK1A (0.47) PIM1CTSSDYRK1A
SCHEMBL2556657 0.78 MGLL (0.47) KMOIDO1MGLLALDH1A1KDM4E
SCHEMBL2553996 0.77 KDM1A (0.56) KMOIDO1KDM1AMGLLALDH1A1
SCHEMBL2559916 0.77 MGLL (0.46) KMOIDO1MGLLALDH1A1TDP1
SCHEMBL10093051 0.75 DHODH (0.57) KMOIDO1KDM1AMAOBDHODH
SCHEMBL2560014 0.73 CYP1A2 (0.48) KMOALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2559950 0.73 KDM1A (0.49) KMOIDO1KDM1AMGLLPIK3CD
SCHEMBL1416558 0.72 KDM1A (0.61) KMOIDO1KDM1AMAOBDHODH

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