SCHEMBL30017867

SCHEMBL30017867

COc1cnccc1-c1cnccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.46
KDM6B O15054 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4A O75164 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLQ O75417 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.43
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GSK3B P49841 1/20 0.39

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
SCHEMBL29573953 0.88 SLC22A12 (0.53) KDM4CALDH1A1KDM4ETDP1POLQ
SCHEMBL22717569 0.88 SLC22A12 (0.53) KDM4CALDH1A1KDM4ETDP1POLQ
SCHEMBL22731931 0.87 GPBAR1 (0.43) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL30578227 0.84 KDM4C (0.53) KDM4CKDM6BALDH1A1KDM4EMAPT
SCHEMBL115719 0.84 KDM4C (0.53) KDM4CKDM6BALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL459608 0.83 KDM4C (0.52) KDM4CKDM6BALDH1A1KDM4EMAPT
SCHEMBL25309598 0.83 POLQ (0.61) KDM4CPOLQGPBAR1KDM5AKDM5B
SCHEMBL31660849 0.83 POLQ (0.61) KDM4CPOLQGPBAR1KDM5AKDM5B
SCHEMBL27598697 0.82 MAPT (0.49) KDM4CKDM6BALDH1A1KDM4EMAPT
SCHEMBL24770954 0.82 KDM4C (0.46) KDM4CKDM6BALDH1A1KDM4EMAPT

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-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 EP disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 WO disclosed