SCHEMBL9780860

SCHEMBL9780860

CCSC(C)n1c([N+](=O)[O-])cnc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CHRM1 P11229 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 4/20 0.39
GLA P06280 1/20 0.39
TYMS P04818 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL13433889 0.79 MAPK1 (0.55) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL28927428 0.78 MAPK1 (0.51) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL7058094 0.77 LMNA (0.51) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL811043 0.76 MAPK1 (0.60) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL10401900 0.76 MAPK1 (0.56) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL28484741 0.76 MAPK1 (0.56) MAPK1ATMLMNAALDH1A1THRB
Hydrochloric Acid SCHEMBL7675920 0.75 MAPK1 (0.46) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL29145077 0.73 ALDH1A1 (0.51) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL28354112 0.72 MAPK1 (0.55) MAPK1ATMLMNAALDH1A1THRB
SCHEMBL27884869 0.71 GLA (0.49) MAPK1ATMLMNAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590677-A Synthesis method of tinidazole 武汉润欣科技股份有限公司 2019-12-20 CN disclosed
US-5070079-A NERVOUS SYSTEM LESIONS CRC-COMPAGNIA DI RICERCA CHIMICA S.P.A. (IT) 1991-12-03 US disclosed
EP-0120328-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING THE CYTIDINE MONOPHOSPHATE OF 5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-D-GALACTONONULOSAMINIC ACID C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) 1988-10-19 EP disclosed
EP-0263533-A2 A method for preparing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-galactononulosaminic acid C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) 1988-04-13 EP disclosed
US-4704361-A TRANSFERASE AND STABILIZERS COMPAGNIA DI RICERCA CHIMICA S.P.A. (IT) 1987-11-03 US disclosed