SCHEMBL10492287

SCHEMBL10492287

O=C(O)CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ POLB P06746 3/20 0.64
▸ PLG P00747 1/20 0.64
▸ NOD2 Q9HC29 1/20 0.64
▸ PTPN1 P18031 2/20 0.59
▸ USP2 O75604 1/20 0.58
▸ CASP6 P55212 1/20 0.58
▸ AKR1B1 P15121 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MMP3 P08254 1/20 0.56
▸ MMP13 P45452 1/20 0.56

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
SCHEMBL10492290 1.00 MEN1 (0.64) MEN1KMT2APOLBPLGNOD2
SCHEMBL12008466 0.89 CISD1 (0.69) MEN1KMT2APOLBNOD2AKR1B1
SCHEMBL12008733 0.87 POLB (0.63) MEN1KMT2APOLBNOD2PTPN1
SCHEMBL10492321 0.83 POLB (0.66) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL10492318 0.83 POLB (0.66) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL10492194 0.82 MMP3 (0.62) MEN1KMT2APOLBPTPN1AKR1B1
SCHEMBL10492197 0.82 MMP3 (0.62) MEN1KMT2APOLBPTPN1AKR1B1
SCHEMBL12417257 0.82 MEN1 (0.56) MEN1KMT2APOLBNOD2ALDH1A1
SCHEMBL19736246 0.81 AKR1B1 (0.79) MEN1KMT2APTPN1AKR1B1NPC1
SCHEMBL10491494 0.81 AKR1B1 (0.79) MEN1KMT2APTPN1AKR1B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 — — US disclosed
US-4791126-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 — — US disclosed
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 — — US disclosed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 — — EP disclosed
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