SCHEMBL3842877

SCHEMBL3842877

COc1nnc(C)c(N2CCC(C)CC2)c1-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 4/20 0.36
C5AR1 P21730 2/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
GNRHR P30968 1/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
HTT P42858 3/20 0.33
CACNA2D1 P54289 1/20 0.32

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 0.82 KMT2A (0.39) TSHRKMT2AMEN1PKMNPSR1
SCHEMBL3852701 0.77 KMT2A (0.37) TSHRKMT2AMEN1PKMNPSR1
SCHEMBL5253108 0.64 TSHR (0.38) TSHRKMT2AMEN1PKMNPSR1
SCHEMBL8390421 0.64 TSHR (0.49) TSHRKMT2AMEN1NPSR1HSD17B10
SCHEMBL4817660 0.63 TSHR (0.43) TSHRNPSR1MAPK1LMNAALDH1A1
SCHEMBL20129616 0.62 KDM4E (0.56) TSHRKMT2AMEN1PKMC5AR1
SCHEMBL20755413 0.62 GAA (0.54) TSHRKMT2AMEN1PKMKDM4E
SCHEMBL5460658 0.61 GAA (0.62) TSHRKMT2AMEN1PKMKDM4E
SCHEMBL14804540 0.61 ALDH1A1 (0.58) KMT2AMEN1NPSR1MAPK1LMNA
SCHEMBL30941560 0.60 NPC1 (0.36) TSHRKMT2AMEN1LMNAALDH1A1

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