SCHEMBL29878652

SCHEMBL29878652

CCOC(=O)C1Cc2cc(OC)ncc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 5/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NNMT P40261 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA2 Q15822 1/20 0.33
POLB P06746 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1769713 1.00 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL10233308 0.86 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL14401106 0.86 KMT2A (0.40) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL13889991 0.84 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL28849076 0.83 GAA (0.45) ALDH1A1HSD17B10GAAMAPTHPGD
SCHEMBL10906291 0.80 KDM4E (0.53) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL10256197 0.78 MEN1 (0.41) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL22462285 0.77 KDM4E (0.43) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL29803501 0.77 KDM4E (0.43) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL3250596 0.77 ALOX15 (0.43) KMT2AKDM4EALDH1A1MEN1HSD17B10

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
CN-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed