SCHEMBL9641954

SCHEMBL9641954

O=C1COC(=O)C1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ S100A4 P26447 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP9 P55211 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CASP8 Q14790 1/20 0.34

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
SCHEMBL10379315 0.79 HSD17B10 (0.41) ALDH1A1MAPTLMNATDP1KMT2A
SCHEMBL28554564 0.78 HSD17B10 (0.54) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL25105 0.78 HSD17B10 (0.54) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL10379786 0.78 HSD17B10 (0.54) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL9641590 0.76 PTPRC (0.40) ALDH1A1MAPTLMNATDP1KMT2A
SCHEMBL9640741 0.75 HSD17B10 (0.39) ALDH1A1MAPTLMNATDP1KMT2A
SCHEMBL9641093 0.73 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9641567 0.73 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL9641571 0.72 HSD17B10 (0.41) ALDH1A1MAPTLMNATDP1KMT2A
SCHEMBL9641947 0.71 HSD17B10 (0.39) ALDH1A1MAPTLMNASMN1; SMN2TDP1

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
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
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