SCHEMBL29930877

SCHEMBL29930877

COc1ccccc1-c1cc(N)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 1.00
ALDH1A1 P00352 5/20 0.58
GAA P10253 1/20 0.58
DYRK1A Q13627 1/20 0.53
KDM4E B2RXH2 4/20 0.52
DCUN1D1 Q96GG9 1/20 0.49
ALPL P05186 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL23611724 1.00 HSD17B10 (1.00) HSD17B10ALDH1A1GAADYRK1AKDM4E
SCHEMBL28574575 0.83 HSD17B10 (0.70) HSD17B10ALDH1A1GAADYRK1AKDM4E
SCHEMBL13929106 0.81 HSD17B10 (0.69) HSD17B10ALDH1A1GAAKDM4EDCUN1D1
SCHEMBL9071981 0.81 HSD17B10 (0.69) HSD17B10ALDH1A1GAAKDM4EDCUN1D1
SCHEMBL1528407 0.81 HSD17B10 (0.69) HSD17B10ALDH1A1GAAKDM4EDCUN1D1
SCHEMBL16563851 0.81 HSD17B10 (0.68) HSD17B10ALDH1A1GAADYRK1AKDM4E
SCHEMBL23623477 0.81 HSD17B10 (0.68) HSD17B10ALDH1A1GAAKDM4EDCUN1D1
SCHEMBL23611757 0.80 HSD17B10 (0.66) HSD17B10ALDH1A1GAAKDM4EDCUN1D1
SCHEMBL1528421 0.79 HSD17B10 (0.65) HSD17B10ALDH1A1GAAKDM4EMEN1
SCHEMBL17280016 0.79 HSD17B10 (0.65) HSD17B10ALDH1A1GAAKDM4EMEN1

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
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed