SCHEMBL25308546

SCHEMBL25308546

COc1cccc(F)c1OC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ SLC2A1 P11166 1/20 0.51
▸ SLC2A4 P14672 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP1A1 P04798 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP1B1 Q16678 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL25309723 0.83 KMT2A (0.48) KMT2AATMALDH1A1SLC2A1SLC2A4
SCHEMBL29040095 0.82 KMT2A (0.54) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL30304968 0.80 KMT2A (0.72) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL29855615 0.80 KMT2A (0.72) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL28386352 0.80 KMT2A (0.65) KMT2AATMALDH1A1MAPTCYP1A2
SCHEMBL29936263 0.79 KMT2A (0.60) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL10001382 0.79 KMT2A (0.60) KMT2AATMALDH1A1MAPTHSD17B10
SCHEMBL21963607 0.77 ALDH1A1 (0.68) KMT2AALDH1A1MAPTHSD17B10CYP1A2
SCHEMBL25263346 0.75 MAPT (0.64) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL15247099 0.75 KMT2A (0.55) KMT2AATMALDH1A1MAPTHSD17B10

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
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