SCHEMBL10587739

SCHEMBL10587739

Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(Cl)c(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
TXNRD1 Q16881 1/20 0.30
TXNRD3 Q86VQ6 1/20 0.30
TXNRD2 Q9NNW7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9587667 0.85 ALDH1A1 (0.41) PKMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10587814 0.83 PKM (0.36) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL10389921 0.79 ALDH1A1 (0.37) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9586618 0.78 ALDH1A1 (0.36) PKMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10590091 0.76 PKM (0.42) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL10609185 0.75 PKM (0.47) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL10589301 0.74 ALDH1A1 (0.33) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL10589883 0.73 PTPN1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL39558 0.73 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDCYP3A4
SCHEMBL10496955 0.73 PKM (0.38) PKMALDH1A1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335156-A1 5-Amino-1-phenylpyrazoles BAYER AG (DE) 1989-10-04 EP disclosed