SCHEMBL7472860

SCHEMBL7472860

c1ccc(ON2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7171239 0.84 LTA4H (0.43) KMT2AKDM4EMEN1
SCHEMBL1827943 0.79 LTA4H (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL1829382 0.79 LTA4H (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4719481 0.79 SMN1; SMN2 (0.36) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL10344804 0.79 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL16695922 0.77 MAPT (0.50) KMT2ASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL19121186 0.77 L3MBTL1 (0.50) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL28643916 0.77 CYP2D6 (0.41) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5223635 0.77 LTA4H (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL74752 0.77 CYP2D6 (0.41) KMT2ALMNASMN1; SMN2ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
CN-107949559-B Bicyclic fused heteroaryl or aryl compounds as IRAK4 modulators 辉瑞公司 2020-12-11 CN disclosed