SCHEMBL28794001

SCHEMBL28794001

Nc1cccc(C(=O)O)c1C=NNc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.74
▸ GSTO1 P78417 1/20 0.49
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ATP4A P20648 1/20 0.45
▸ ATP4B P51164 1/20 0.45

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
SCHEMBL19631418 1.00 DHODH (0.74) DHODHGSTO1LMNAALDH1A1KMT2A
SCHEMBL20956575 0.87 DHODH (0.67) DHODHGSTO1KMT2AATP4AATP4B
SCHEMBL20956573 0.87 DHODH (0.67) DHODHGSTO1KMT2AATP4AATP4B
SCHEMBL29911563 0.85 DHODH (1.00) DHODHGSTO1ALDH1A1
SCHEMBL19631365 0.85 DHODH (1.00) DHODHGSTO1ALDH1A1
SCHEMBL20956565 0.85 DHODH (1.00) DHODHGSTO1ALDH1A1
SCHEMBL19631432 0.80 DHODH (0.78) DHODHGSTO1
SCHEMBL19631360 0.78 DHODH (0.78) DHODHALDH1A1
SCHEMBL19631361 0.78 DHODH (0.78) DHODHGSTO1
SCHEMBL25614262 0.78 DHODH (0.53) DHODHLMNAALDH1A1KMT2ASMN1; 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 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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