SCHEMBL30799732

SCHEMBL30799732

COC(=O)c1sc2cc[n+](N)c(N)c2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 6/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 5/20 0.43
GLA P06280 4/20 0.43
GAA P10253 3/20 0.43
ALOX15 P16050 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
NCOA1 Q15788 2/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPK1 P28482 4/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.36

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
SCHEMBL30799600 0.74 KDM4E (0.46) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL9433738 0.70 MAPK1 (0.51) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL30799557 0.69 LMNA (0.44) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL29137853 0.66 KMT2A (0.60) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL1805430 0.66 LMNA (0.69) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL29172237 0.66 LMNA (0.34) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL30242205 0.65 LMNA (0.44) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL13895883 0.65 LMNA (0.44) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL31059924 0.64 HSD17B10 (0.44) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL16096073 0.63 LMNA (0.48) KDM4EALDH1A1HSD17B10MAPTHPGD

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-117683042-A Fused tetracyclic compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-03-12 CN disclosed