SCHEMBL25307207

SCHEMBL25307207

COc1ccccc1-c1nnccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DHODH Q02127 2/20 0.45
KDM5B Q9UGL1 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL25309226 0.87 CDC7 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10027994 0.81 KDM4E (0.59) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25306445 0.78 CTSA (0.41) KDM5B
SCHEMBL28056374 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL30282819 0.77 ALDH1A1 (0.49) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22717705 0.77 ALDH1A1 (0.49) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29573953 0.75 SLC22A12 (0.53) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22717569 0.75 SLC22A12 (0.53) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL536179 0.74 HTT (0.62) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22717614 0.74 HTT (0.50) HTTALDH1A1KDM4EHPGDHSD17B10

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
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed