SCHEMBL15330702

SCHEMBL15330702

Cc1cnn(-c2cccc(B(O)O)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
TDO2 P48775 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4895758 0.83 KDM4E (0.49) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2005694 0.78 MAPT (0.45) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL26522667 0.76 TDO2 (0.44) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL27136755 0.75 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2562068 0.74 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2557106 0.74 NPSR1 (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL16547474 0.73 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2563617 0.73 RAB9A (0.69) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL18586553 0.71 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL15293912 0.71 KDM4E (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT

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