SCHEMBL29952181

SCHEMBL29952181

Cc1oc(C(=O)O)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.52
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
PTGER4 P35408 4/20 0.42
DAO P14920 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.41
LIG1 P18858 1/20 0.41
PIM1 P11309 3/20 0.40
CSNK2A1 P68400 3/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40

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
SCHEMBL700764 0.77 APEX1 (0.55) APEX1KMT2AKDM4EPTGER4DAO
SCHEMBL5154557 0.77 DAO (0.45) APEX1KMT2AKDM4EDAOGPR35
SCHEMBL14620144 0.76 APEX1 (0.53) APEX1KMT2AKDM4EPTGER4DAO
SCHEMBL26963230 0.76 DAO (0.43) APEX1KMT2AKDM4EDAOGPR35
SCHEMBL12995249 0.74 APEX1 (0.52) APEX1KMT2AKDM4EPTGER4DAO
Hydrochloric Acid SCHEMBL29131528 0.74 DAO (0.42) APEX1KMT2AKDM4EDAOGPR35
SCHEMBL4379207 0.74 KDM4E (0.48) APEX1KMT2AKDM4EDAOGPR35
SCHEMBL2844554 0.74 APEX1 (0.66) APEX1KMT2APTGER4TDP1MAPT
SCHEMBL9311435 0.72 KDM4E (0.52) APEX1KMT2AKDM4EPTGER4DAO
SCHEMBL22638673 0.72 APEX1 (0.46) APEX1KMT2AKDM4EPTGER4DAO

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 1 patent. 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