SCHEMBL29893702

SCHEMBL29893702

O=C1c2ccccc2C(=O)N1Cc1nnc(Cl)cc1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GRM5 P41594 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL28846456 1.00 MAPK1 (0.46) MAPK1SMN1; SMN2HTTGRM5HPGD
SCHEMBL24941149 0.76 ADORA2A (0.41) KMT2ATDP1KDM4E
SCHEMBL29910078 0.74 HTR1A (0.40) HTTGRM5ALDH1A1KMT2AKDM4E
SCHEMBL24941131 0.74 HTR1A (0.40) HTTGRM5ALDH1A1KMT2AKDM4E
SCHEMBL29893703 0.73 AOC1 (0.42) KMT2AKDM4EMAPT
SCHEMBL21555613 0.67 TYR (0.46) SMN1; SMN2HTTGRM5ALDH1A1KMT2A
SCHEMBL26653890 0.65 MEN1 (0.41) KMT2ATDP1KDM4EMAPT
SCHEMBL24719019 0.64 ALDH1A1 (0.54) HTTALDH1A1KMT2AKDM4EPKM
SCHEMBL30146401 0.64 ALDH1A1 (0.54) HTTALDH1A1KMT2AKDM4EPKM
SCHEMBL28437659 0.63 HPGD (0.56) MAPK1HPGDALDH1A1

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-4055026-A1 COMPOUNDS AS CD73 INHIBITORS Bioardis LLC (US) 2022-09-14 EP disclosed
CN-114945578-A Compounds as CD73 inhibitors 博奥阿迪斯生物科技公司 2022-08-26 CN disclosed