Tinidazole

Tinidazole

SCHEMBL28888098

CCO.CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tinidazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.92
▸ SMN1; SMN2 Q16637 1/20 0.92
▸ CA1 P00915 7/20 0.69
▸ CA2 P00918 7/20 0.69
▸ CA9 Q16790 7/20 0.69
▸ MAPK1 P28482 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ CA12 O43570 6/20 0.57
▸ GLA P06280 1/20 0.54
▸ ATM Q13315 1/20 0.53
▸ CHRM1 P11229 1/20 0.50
▸ EGFR P00533 4/20 0.49
▸ ERBB2 P04626 4/20 0.49
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.47

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
Tinidazole SCHEMBL27865473 0.96 LMNA (0.94) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL21141 0.96 LMNA (1.00) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL14742527 0.96 LMNA (1.00) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL19149564 0.95 LMNA (0.87) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL27877209 0.94 LMNA (0.97) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL27640947 0.94 LMNA (0.97) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL11579155 0.90 LMNA (0.89) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL11521582 0.86 LMNA (0.82) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL20840295 0.85 LMNA (0.74) LMNASMN1; SMN2CA1CA2CA9
Tinidazole SCHEMBL20770937 0.85 LMNA (0.74) LMNASMN1; SMN2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111000800-A Temperature-sensitive micelle vaginal spray and preparation method thereof 江苏中天药业有限公司 2020-04-14 — — CN disclosed
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