SCHEMBL3852701

SCHEMBL3852701

Cc1nnc(Cl)c(-c2c(F)cccc2Cl)c1N1CCC(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
TSHR P16473 3/20 0.37
PDE2A O00408 3/20 0.37
MEN1 O00255 3/20 0.37
PKM P14618 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPT P10636 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
POLB P06746 1/20 0.34
C5AR1 P21730 1/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GNRHR P30968 1/20 0.33
NPC1 O15118 2/20 0.33
STAT6 P42226 1/20 0.33
RAB9A P51151 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
SCHEMBL3847158 0.94 KMT2A (0.39) KMT2ATSHRMEN1PKMMAPT
SCHEMBL3842877 0.77 TSHR (0.38) KMT2ATSHRMEN1PKMMAPT
SCHEMBL3843013 0.73 PDE2A (0.43) KMT2APDE2AMEN1PDE10AMAPT
SCHEMBL5779311 0.72 TRPV1 (0.35) KMT2ATSHRPDE2AMEN1PKM
SCHEMBL27543784 0.71 TRPV1 (0.39) KMT2ATSHRMEN1PKMMAPT
SCHEMBL27543783 0.71 TSHR (0.43) KMT2ATSHRMEN1PKMMAPT
SCHEMBL4818506 0.71 TSHR (0.46) KMT2ATSHRPDE2AMEN1MAPT
SCHEMBL5251841 0.71 PTPN11 (0.36) TSHRPDE2APDE10AMAPTTRPV1
SCHEMBL3861650 0.71 PDE2A (0.41) KMT2APDE2AMEN1PDE10AMAPT
SCHEMBL344327 0.70 TSHR (0.46) KMT2ATSHRPDE2AMEN1MAPT

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
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed