SCHEMBL30960488

SCHEMBL30960488

COc1cccc2sc(Nc3nc4c(C(F)(F)F)cccc4s3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.62
KMT2A Q03164 10/20 0.62
MAPT P10636 9/20 0.62
KDM4E B2RXH2 9/20 0.62
GAA P10253 4/20 0.62
ALDH1A1 P00352 11/20 0.58
HPGD P15428 9/20 0.58
LMNA P02545 8/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 5/20 0.58
MAPK1 P28482 1/20 0.58
AGTR1 P30556 1/20 0.58
POLB P06746 4/20 0.57
DYRK1A Q13627 1/20 0.56
TDP1 Q9NUW8 7/20 0.55
TP53 P04637 5/20 0.55
NPSR1 Q6W5P4 3/20 0.55
USP2 O75604 3/20 0.55
ALOX15 P16050 2/20 0.55

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
SCHEMBL22994352 1.00 MEN1 (0.62) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30960485 0.92 MEN1 (0.52) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL22994344 0.92 MEN1 (0.52) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL22994348 0.88 ALDH1A1 (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30960486 0.88 ALDH1A1 (0.49) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL22994346 0.83 ALDH1A1 (0.74) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30960484 0.83 ALDH1A1 (0.74) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30260896 0.81 MEN1 (0.50) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL30960487 0.80 MEN1 (0.60) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL22994351 0.80 MEN1 (0.60) MEN1KMT2AMAPTKDM4EGAA

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-4015510-B1 ANTI-TUMOUR COMPOUND BASED ON JWA GENE ACTIVATION AND HER2 DEGRADATION, PREPARATION METHOD THEREFOR, AND USE THEREOF Simcere pharmaceutical co ltd (CN) 2025-08-20 EP claimed
CN-113402479-B Antitumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2024-05-17 CN claimed