SCHEMBL29911542

SCHEMBL29911542

O=C(O)c1ccccc1/C=N/Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.80
▸ MAOA P21397 9/20 0.70
▸ MAOB P27338 8/20 0.70
▸ RAB9A P51151 2/20 0.63
▸ MGAM O43451 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ SI P14410 1/20 0.57
▸ MGAM2 Q2M2H8 1/20 0.57
▸ CSNK2A1 P68400 3/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ GSTO1 P78417 1/20 0.54

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
SCHEMBL20956524 1.00 DHODH (0.80) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL19631420 1.00 DHODH (0.80) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL19631414 0.89 DHODH (0.95) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL20956482 0.89 DHODH (0.95) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL20956442 0.89 DHODH (1.00) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL29911504 0.89 DHODH (1.00) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL19631441 0.89 DHODH (1.00) DHODHMAOAMAOBRAB9AMGAM
SCHEMBL25614240 0.89 MAOA (0.66) DHODHMAOAMAOBRAB9ANPC1
SCHEMBL20956437 0.86 DHODH (0.85) DHODHRAB9AMGAMGAASI
SCHEMBL19631410 0.86 DHODH (0.85) DHODHRAB9AMGAMGAASI

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-107375279-B Use of novel thiazole derivatives for the treatment of inflammatory bowel disease 华东理工大学 2022-11-01 — — CN disclosed
CN-107459496-B Use of thiazole derivatives for treating viral infections 华东理工大学 2022-07-19 — — CN disclosed
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