SCHEMBL10519488

SCHEMBL10519488

Nc1nc(-c2ccc(CNC(=O)COc3cccc([N+](=O)[O-])c3)s2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PKM P14618 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CETP P11597 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL10519264 0.87 KMT2A (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10519297 0.85 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10518331 0.84 MAPT (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10521322 0.83 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10518366 0.81 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
Maleic Acid SCHEMBL10520798 0.80 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
Fumaric Acid SCHEMBL10520811 0.80 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10520990 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10519602 0.79 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
Oxalic Acid SCHEMBL10622034 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E

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
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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