SCHEMBL31065610

SCHEMBL31065610

COC(=O)c1cnc2c(c1)NC(=O)N(C)C2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PSMD14 O00487 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CRBN Q96SW2 2/20 0.35
JMJD6 Q6NYC1 1/20 0.34
ALOX5 P09917 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21932249 1.00 MAPK1 (0.38) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL21932259 0.77 LMNA (0.45) MAPK1ALOX15HSD17B10LMNAALDH1A1
SCHEMBL21932308 0.77 LMNA (0.45) MAPK1ALOX15HSD17B10LMNAALDH1A1
SCHEMBL21932485 0.77 LMNA (0.45) MAPK1ALOX15HSD17B10LMNAALDH1A1
SCHEMBL24307314 0.76 ALOX15 (0.41) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL21606264 0.75 MAPK1 (0.40) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL31386670 0.74 ALOX15 (0.45) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL25822020 0.74 ALOX15 (0.45) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL31065600 0.73 BRD4 (0.42) MAPK1ATMALOX15HSD17B10KDM4E
SCHEMBL21932322 0.73 BRD4 (0.42) MAPK1ATMALOX15HSD17B10KDM4E

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-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed