SCHEMBL2559988

SCHEMBL2559988

OB(O)c1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
KIF11 P52732 4/20 0.48
TRPV6 Q9H1D0 2/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP11B2 P19099 4/20 0.40
PIP4K2B P78356 1/20 0.40
CYP11B1 P15538 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 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
SCHEMBL2555625 0.81 CYP11B2 (0.45) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL28950359 0.80 MGLL (0.63) MGLLKIF11TRPV6ORAI1ORAI2
SCHEMBL27266 0.78 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL6607384 0.78 MGLL (0.86) MGLLKIF11TRPV6ORAI1ORAI2
SCHEMBL31403052 0.77 KIF11 (0.59) KIF11KDM1AHDAC1CYP11B2PIP4K2B
SCHEMBL1304481 0.77 MGLL (0.59) MGLLCA1CA2CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL1939687 0.77 MGLL (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL16906524 0.74 KIF11 (0.53) KIF11KDM1AHDAC1CYP11B2PIP4K2B
SCHEMBL5160 0.74 CYP11B1 (0.61) KIF11KDM1AHDAC1CYP11B2PIP4K2B
SCHEMBL4591858 0.73 CYP11B1 (0.51) KIF11KDM1AHDAC1CYP11B2CYP11B1

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