SCHEMBL27286017

SCHEMBL27286017

CCOCn1nccc1C(=O)c1ccnn1COCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LMNA P02545 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9745131 0.81 ALDH1A1 (0.35) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL27286783 0.81 HSP90AA1 (0.43) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL9746104 0.79 L3MBTL1 (0.39) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL9685754 0.76 KMT2A (0.42) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL9506410 0.76 ALDH1A1 (0.48) KMT2AALDH1A1MEN1L3MBTL1HPGD
SCHEMBL10691860 0.75 MAPT (0.33) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL27293150 0.74 MEN1 (0.33) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL10709806 0.74 ALDH1A1 (0.44) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL30414625 0.73 F2RL1 (0.38) KMT2AALDH1A1MEN1L3MBTL1SMN1; SMN2
SCHEMBL14653759 0.72 MAPK14 (0.33) MAPK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1014787-B Process for producing phenoxyacetic acid derivatives TANABE SEIYAKU CO (JP) 1991-11-20 CN disclosed
CN-87106895-A Phenoxyacetic acid derivatives and process for producing the same 1988-04-20 CN disclosed