SCHEMBL10347993

SCHEMBL10347993

Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
MITF O75030 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL4804010 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL5471489 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL9389469 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL10566648 0.77 MEN1 (0.55) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL28730242 0.77 HTT (0.67) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL5804020 0.75 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL11436808 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL10347982 0.74 GAA (0.49) ALDH1A1SMN1; SMN2HTTMAPTMITF
SCHEMBL27993294 0.72 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPTMITFMEN1
SCHEMBL10580020 0.72 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HTTMAPTMITF

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-0200872-B1 HERBICIDAL AND INSECTICIDAL AGENT BASED ON PYRAZOL DERIVATIVES BAYER AG (DE) 1990-04-18 EP disclosed
US-4746354-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed
EP-0200872-A1 Herbicidal and insecticidal agent based on pyrazol derivatives BAYER AG (DE) 1986-11-12 EP disclosed