SCHEMBL14558121

SCHEMBL14558121

CCOC(=O)/C(O)=C1\CCc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GLO1 Q04760 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ BAZ1A Q9NRL2 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL20925016 0.77 ALDH1A1 (0.50) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL12874910 0.75 ALDH1A1 (0.34) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL14558120 0.75 ALDH1A1 (0.44) MAPTGAAALDH1A1KMT2AGLO1
SCHEMBL7307524 0.75 KMT2A (0.44) MAPTALDH1A1KMT2AGLO1SMN1; SMN2
SCHEMBL16559365 0.75 MAPT (0.61) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL12046659 0.73 KDM4E (0.50) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL7320868 0.70 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL7320861 0.70 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL5656396 0.69 MAPT (0.59) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL10528568 0.68 ALDH1A1 (0.58) MAPTGAAALDH1A1KMT2ASMN1; SMN2

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-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 — — US disclosed
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