SCHEMBL9757419

SCHEMBL9757419

CCOC(=O)N1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
GPR174 Q9BXC1 1/20 0.43

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
SCHEMBL31335753 0.83 DDB1 (0.50) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL8422243 0.79 DPP8 (0.59) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL9757421 0.77 KMT2A (0.46) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL6677698 0.76 NOTUM (0.57) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6341159 0.76 HPGD (0.51) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL16099710 0.76 ACHE (0.50) TAS1R3TAS1R1TAS1R2ALDH1A1KMT2A
SCHEMBL8331252 0.75 MAPT (0.45) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL14287212 0.73 MAPT (0.48) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL17197559 0.73 UCHL1 (0.52) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL31335848 0.73 HSP90AA1 (0.54) HPGD

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed