SCHEMBL30833309

SCHEMBL30833309

O=C(CSc1nc(-c2ccncc2)cs1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.61
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
APOBEC3A P31941 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
LMNA P02545 6/20 0.57
MAPT P10636 6/20 0.57
MAPK1 P28482 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29181055 1.00 BLM (0.61) BLMMEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL4872235 0.86 MEN1 (0.67) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11887832 0.74 ALDH1A1 (0.74) MEN1KMT2AAPOBEC3AAPOBEC3GLMNA
SCHEMBL30833314 0.73 MEN1 (0.82) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL29181052 0.73 MEN1 (0.82) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3174823 0.72 MEN1 (0.80) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL1808565 0.71 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1808563 0.71 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1885333 0.70 ESR1 (0.72) BLMMEN1KMT2ALMNAMAPT
SCHEMBL4202502 0.69 PTK2 (0.73) KMT2ALMNAMAPTMAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800961-A Antibacterial agent and preparation method and application thereof 华南理工大学 2024-04-02 CN claimed
CN-117800961-A Antibacterial agent and preparation method and application thereof 华南理工大学 2024-04-02 CN disclosed
CN-117800961-A Antibacterial agent and preparation method and application thereof 华南理工大学 2024-04-02 CN disclosed