SCHEMBL15329645

SCHEMBL15329645

O=Cc1ccc2oc(=O)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CYP2A6 P11509 3/20 0.40
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL15333188 0.86 KIF11 (0.41) KIF11CYP2A6NOS1PDE3BPDE3A
SCHEMBL3774426 0.82 NOS1 (0.58) KIF11CYP2A6NOS3NOS1NOS2
SCHEMBL8871997 0.75 CYP1A2 (0.68) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL11068786 0.73 KMO (0.42) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL6429912 0.70 OGT (0.63) LMNACYP1A2BLMALDH1A1HSD17B10
SCHEMBL3600957 0.68 NOS1 (0.58) KIF11CYP2A6NOS3NOS1NOS2
SCHEMBL3373983 0.68 KIF11 (0.56) KIF11CYP2A6PDE3BPDE3AALDH1A1
SCHEMBL19513095 0.67 NOS1 (0.56) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL29519732 0.66 KIF11 (0.48) KIF11CYP2A6PDE3BPDE3AALDH1A1
SCHEMBL1418732 0.66 KIF11 (0.48) KIF11CYP2A6PDE3BPDE3AALDH1A1

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 5 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