SCHEMBL9763578

SCHEMBL9763578

COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MAPT P10636 2/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
HTT P42858 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
SCHEMBL8489138 0.82 LMNA (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8489142 0.82 LMNA (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL22091730 0.82 SSTR1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL22091728 0.82 SSTR1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL30912560 0.81 ITGA4 (0.45) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL30912519 0.81 ITGA4 (0.45) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL29575512 0.81 LMNA (0.45) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL6639278 0.80 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL29576677 0.80 LMNA (0.44) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL2234342 0.79 PTPRB (0.52) GAAMEN1KMT2ALMNAALDH1A1

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
JP-3112969-A None JP disclosed
JP-H03112969-A PRODUCING INTERMEDIATE OF BIFUNCTIONAL CHELATE LIGAND AND PRODUCTION THEREOF TEIJIN LTD 1991-05-14 JP disclosed