SCHEMBL30960484

SCHEMBL30960484

COc1cccc2sc(Nc3nc4c(F)cccc4s3)nc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.74
MEN1 O00255 11/20 0.74
KMT2A Q03164 11/20 0.74
HPGD P15428 10/20 0.74
LMNA P02545 10/20 0.74
KDM4E B2RXH2 8/20 0.74
GAA P10253 7/20 0.74
RAB9A P51151 6/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
NPC1 O15118 5/20 0.74
PRNP P04156 1/20 0.74
MAPT P10636 10/20 0.65
MAPK1 P28482 2/20 0.63
TDP1 Q9NUW8 7/20 0.61
POLB P06746 4/20 0.61
HTT P42858 2/20 0.61
AGTR1 P30556 1/20 0.60
DYRK1A Q13627 1/20 0.59
DUSP3 P51452 4/20 0.59
ESR1 P03372 1/20 0.59

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
SCHEMBL22994346 1.00 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL22994347 0.92 MEN1 (0.70) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL30960490 0.92 MEN1 (0.70) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL22994351 0.91 MEN1 (0.60) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL30960487 0.91 MEN1 (0.60) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL22978670 0.88 MEN1 (0.74) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL30960491 0.87 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL22994342 0.87 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL15617147 0.85 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL15617134 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDLMNA

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