SCHEMBL10686367

SCHEMBL10686367

Nc1c([N+](=O)[O-])cnn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
INPPL1 O15357 1/20 0.35
DHFR P00374 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
VCAM1 P19320 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 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
SCHEMBL10609185 0.84 PKM (0.47) PKMTSHRMAPK1MAPTMEN1
SCHEMBL10688909 0.83 PKM (0.44) PKMTSHRMAPK1MAPTMEN1
SCHEMBL6951629 0.83 FGFR4 (0.46) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL10688031 0.78 PKM (0.51) PKMTSHRMAPK1MAPTMEN1
SCHEMBL10689294 0.77 PKM (0.50) PKMTSHRMAPK1MAPTMEN1
SCHEMBL10687444 0.75 PKM (0.48) PKMMAPK1MAPTMEN1KMT2A
Isopropylamine SCHEMBL10687587 0.75 PKM (0.46) PKMMAPTKMT2AALDH1A1VCAM1
SCHEMBL10687409 0.74 PKM (0.47) PKMMEN1KMT2AALDH1A1POLB
SCHEMBL6483822 0.73 RIPK2 (0.49) TSHRMAPK1RAB9AHTTLMNA
SCHEMBL10690689 0.73 PTPN1 (0.43) TSHRMAPK1MAPTRAB9AALDH1A1

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
US-4772312-A PRE-AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US claimed
US-4772312-A PRE-AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
EP-0207285-A1 5-Amino-1-pyridyl-pyrazoles BAYER AG (DE) 1987-01-07 EP disclosed