SCHEMBL8304460

SCHEMBL8304460

COC(=O)c1cccnc1C(=O)/C=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8304463 1.00 MAPT (0.48) MAPTHTTGAALMNATDP1
SCHEMBL24485236 0.85 ALDH1A1 (0.46) MAPTHTTGAALMNAL3MBTL1
SCHEMBL29453685 0.85 ALDH1A1 (0.46) MAPTHTTGAALMNAL3MBTL1
SCHEMBL22719323 0.84 ALDH1A1 (0.57) MAPTHTTGAALMNATDP1
SCHEMBL22719324 0.84 ALDH1A1 (0.57) MAPTHTTGAALMNATDP1
SCHEMBL19907918 0.81 TDP1 (0.45) MAPTLMNATDP1L3MBTL1ALDH1A1
SCHEMBL1955351 0.79 RECQL (0.54) MAPTHTTGAALMNATDP1
SCHEMBL1955354 0.79 RECQL (0.54) MAPTHTTGAALMNATDP1
SCHEMBL69990 0.78 L3MBTL1 (0.62) MAPTHTTLMNATDP1L3MBTL1
SCHEMBL29416324 0.78 L3MBTL1 (0.62) MAPTHTTLMNATDP1L3MBTL1

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-0739341-B1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES NOVARTIS AG (CH) 1999-06-02 — — EP disclosed
EP-0739341-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES Novartis AG (CH) 1996-10-30 — — EP disclosed
WO-1995019358-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES SANDOZ LTD. (CH) 1995-07-20 — — WO disclosed
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