SCHEMBL30960486

SCHEMBL30960486

COc1cc(OC)c2nc(Nc3nc4c(C(F)(F)F)cccc4s3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
HPGD P15428 11/20 0.49
MAPT P10636 10/20 0.49
LMNA P02545 10/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
MAPK1 P28482 2/20 0.49
AGTR1 P30556 1/20 0.49
KDM4E B2RXH2 8/20 0.48
TDP1 Q9NUW8 6/20 0.48
HSD17B10 Q99714 5/20 0.48
TP53 P04637 5/20 0.48
USP2 O75604 4/20 0.48
ALOX15 P16050 2/20 0.48
GLA P06280 1/20 0.48
MEN1 O00255 11/20 0.48
KMT2A Q03164 11/20 0.48
GAA P10253 6/20 0.48
DUSP3 P51452 5/20 0.46

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
SCHEMBL22994348 1.00 ALDH1A1 (0.49) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960488 0.88 MEN1 (0.62) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994352 0.88 MEN1 (0.62) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960491 0.86 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994342 0.86 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994344 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960485 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL2138195 0.73 MAPT (0.61) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22978670 0.72 MEN1 (0.74) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994346 0.72 ALDH1A1 (0.74) ALDH1A1HPGDMAPTLMNARAB9A

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