SCHEMBL8487277

SCHEMBL8487277

CSc1cnn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HTT P42858 6/20 0.48
LMNA P02545 6/20 0.48
NPSR1 Q6W5P4 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 3/20 0.45
MITF O75030 1/20 0.45
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8486888 0.83 ALDH1A1 (0.65) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL1356145 0.71 ADORA2A (0.44) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL11002083 0.67 GLS (0.67) LMNAKDM4EMAPTATMKMT2A
SCHEMBL1921324 0.67 RECQL (0.65) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL28796085 0.66 MAPT (0.57) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL21840707 0.65 RAB9A (0.76) ALDH1A1HTTNPSR1SMN1; SMN2KDM4E
SCHEMBL13217032 0.65 MAPT (0.56) ALDH1A1NPSR1GAAMAPTPKM
SCHEMBL23388323 0.65 ADORA2A (0.67) ALDH1A1KMT2AMEN1
SCHEMBL5863497 0.65 TDP1 (0.51) ALDH1A1HTTKMT2AMEN1
SCHEMBL22157834 0.65 PKM (0.52) PKMKMT2AMEN1

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
WO-1999018082-A1 NOVEL SUBSTITUTED PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed