SCHEMBL2559931

SCHEMBL2559931

Cc1cnc(-c2ccc(C(F)(F)F)cc2)cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.46
IDO1 P14902 1/20 0.46
MGLL Q99685 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 3/20 0.39
RAD51 Q06609 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
KIF11 P52732 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
TOP1 P11387 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2562511 0.85 TDO2 (0.46) TDO2IDO1MGLLKDM1AMAOB
SCHEMBL2553174 0.84 KMO (0.48) IDO1MGLLKDM1AMAOBKDM4E
SCHEMBL2559299 0.81 KDM4E (0.45) ADORA3ABL1BCRKDM4ECYP1A2
SCHEMBL457333 0.78 IDO1 (0.45) TDO2IDO1KDM1AMAOBHDAC1
SCHEMBL16906529 0.76 HDAC1 (0.47) TDO2IDO1KDM1AMAOBHDAC1
SCHEMBL2558938 0.76 MGLL (0.41) TDO2IDO1MGLLKIF11ORAI1
SCHEMBL2552695 0.75 MGLL (0.43) TDO2IDO1MGLLKIF11ORAI1
SCHEMBL18068203 0.75 IDO1 (0.42) TDO2IDO1KDM1AMAOBHDAC1
SCHEMBL2560014 0.74 CYP1A2 (0.48) KDM4EALDH1A1CYP1A2HSD17B10TGFBR1
SCHEMBL2555305 0.72 DYRK1A (0.47)

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