SCHEMBL6822402

SCHEMBL6822402

O=C(C[N+](=O)[O-])Nc1ccc(OC(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.47
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL6825635 0.80 L3MBTL1 (0.61) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL3483132 0.79 EPHX2 (0.59) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL20679552 0.78 RNF4 (0.59) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL28909551 0.78 POLB (0.62) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL572726 0.78 GAA (0.56) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL9515517 0.78 GAA (0.57) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL9428604 0.77 POLB (0.57) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL3170705 0.77 MEN1 (0.50) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL11141499 0.77 MAPT (0.51) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL4104480 0.77 MEN1 (0.75) POLBALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103819409-A Preparation method of 5-difluoromethoxy-2-mercapto-1H-benzimidazole SHENYANG MANWEI CHEMICAL CO LTD 2014-05-28 CN claimed
WO-2004092142-A1 AN IMPROVED PROCESS FOR MANUFACTURE OF SUBSTITUTED BENZIMIDAZOLES IPCA LABORATORIES LIMITED (IN) 2004-10-28 WO claimed
CN-103819409-A Preparation method of 5-difluoromethoxy-2-mercapto-1H-benzimidazole SHENYANG MANWEI CHEMICAL CO LTD 2014-05-28 CN disclosed