SCHEMBL15330282

SCHEMBL15330282

COCCOc1cc(Cl)ccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 1/20 0.44
ENPP2 Q13822 1/20 0.43
S1PR4 O95977 2/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL29950945 0.85 KDM4E (0.45) HTR2CHTR2BENPP2LMNAMAPT
SCHEMBL29447064 0.85 ENPP2 (0.44) ENPP2S1PR4LMNAMAPTL3MBTL1
SCHEMBL20704942 0.85 ENPP2 (0.44) ENPP2S1PR4LMNAMAPTL3MBTL1
SCHEMBL29953190 0.83 ALDH1A1 (0.47) ENPP2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL29952519 0.81 TSHR (0.49) HTR2CHTR2BENPP2LMNAMAPK1
SCHEMBL1686371 0.81 TSHR (0.49) HTR2CHTR2BENPP2LMNAMAPK1
SCHEMBL14345658 0.80 HTR2C (0.52) PLAUHTR2CHTR2BS1PR4LMNA
SCHEMBL25345554 0.80 ENPP2 (0.39) ENPP2S1PR4HTTKDM4EKDR
SCHEMBL29952295 0.79 L3MBTL1 (0.43) PLAUHTR2CHTR2BS1PR4LMNA
SCHEMBL385535 0.78 ENPP2 (0.52) ENPP2LMNAFLT1KDR

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