SCHEMBL3851796

SCHEMBL3851796

Cc1nnc(Cl)c(-c2c(F)cccc2F)c1Sc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 3/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
LMNA P02545 2/20 0.34
AKR1B1 P15121 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 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
SCHEMBL3844244 0.93 PDE2A (0.36) RXFP1TP53PDE2APDE10ANPC1
SCHEMBL69222 0.77 NPC1 (0.44) TP53PDE2APDE10ANPC1CASP3
SCHEMBL29369509 0.77 NPC1 (0.44) TP53PDE2APDE10ANPC1CASP3
SCHEMBL2888290 0.75 NPC1 (0.43) TP53PDE2APDE10ANPC1CASP3
SCHEMBL3847246 0.74 KMT2A (0.40) PDE2APDE10ANPC1CASP3RAB9A
SCHEMBL174777 0.73 TP53 (0.43) RXFP1TP53HTR1ADRD2DRD4
SCHEMBL3332556 0.72 ALDH1A1 (0.34) RXFP1TP53NPC1RAB9AL3MBTL1
SCHEMBL3851086 0.71 KMT2A (0.38) PDE2APDE10ANPC1CASP3RAB9A
SCHEMBL68893 0.71 NPC1 (0.47) TP53PDE2APDE10ANPC1CASP3
SCHEMBL2348112 0.70 NPC1 (0.41) RXFP1PDE2APDE10ANPC1CASP3

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