SCHEMBL29249409

SCHEMBL29249409

O=C1NC(S)S/C1=C\c1cnn(-c2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.61
▸ RPTOR Q8N122 4/20 0.61
▸ MLST8 Q9BVC4 4/20 0.61
▸ ALDH1A1 P00352 6/20 0.51
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL29249424 0.88 MTOR (0.61) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249433 0.88 ALDH1A1 (0.57) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249426 0.88 MTOR (0.62) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL23839859 0.86 MTOR (0.64) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249566 0.85 MTOR (0.64) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249407 0.83 KMT2A (0.43) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249434 0.82 MTOR (0.47) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249438 0.82 MTOR (0.43) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249413 0.81 MTOR (0.65) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249408 0.81 MTOR (0.63) MTORRPTORMLST8ALDH1A1KMT2A

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
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 — — CN claimed
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 — — CN disclosed
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