SCHEMBL10967029

SCHEMBL10967029

CCOC(=O)CNC(=O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HTT P42858 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL10881162 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL8508358 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10560416 0.84 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNACYP1A2
SCHEMBL10969382 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL733453 0.82 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10840202 0.82 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10880485 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10981628 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10981472 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL9420221 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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
EP-0046467-B1 QUINOXALINE DERIVATIVES AND HERBICIDAL COMPOSITION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-27 — — EP claimed
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