SCHEMBL13737804

SCHEMBL13737804

Cn1nc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KIF11 P52732 1/20 0.49
MAPT P10636 1/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
DPP4 P27487 1/20 0.43
BACE1 P56817 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP1 P11387 1/20 0.42
CFTR P13569 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL13737492 0.86 MAPT (0.57) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13736647 0.86 RECQL (0.51) KDM4EALDH1A1MAPTNR1H2NR1H3
SCHEMBL13738455 0.83 MAPT (0.45) MAPTNR1H2NR1H3MEN1KMT2A
SCHEMBL13738541 0.81 TDP1 (0.51) KDM4EALDH1A1MAPTNR1H2NR1H3
SCHEMBL13066524 0.80 MEN1 (0.46) KIF11NR1H2NR1H3MEN1KMT2A
SCHEMBL13736982 0.80 RECQL (0.44) KDM4EALDH1A1MAPTNR1H2NR1H3
SCHEMBL13826372 0.79 KDM4E (0.43) KDM4EALDH1A1KIF11MAPTBACE1
SCHEMBL13430367 0.78 POLB (0.54) KDM4EALDH1A1NR1H2NR1H3NPC1
SCHEMBL14039900 0.78 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13739115 0.78 ALDH1A1 (0.55) KDM4EALDH1A1MAPTDPP4NPC1

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-2701510-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME Usher III Initiative (US) 2014-03-05 EP disclosed
WO-2012148994-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2012-11-01 WO disclosed