SCHEMBL4428168

SCHEMBL4428168

CCCC1(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PLAU P00749 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL14920319 0.82 ALDH1A1 (0.42) ALDH1A1TDP1GAAHTTMEN1
SCHEMBL14920148 0.82 ALDH1A1 (0.45) ALDH1A1TDP1GAAHTTMEN1
SCHEMBL14920987 0.82 ALDH1A1 (0.48) ALDH1A1TDP1GAAHTTMEN1
SCHEMBL16828379 0.75 MAPK1 (0.45) ALDH1A1HTTMEN1KMT2AL3MBTL1
SCHEMBL14920448 0.72 ALDH1A1 (0.44) ALDH1A1TDP1GAAHTTMEN1
SCHEMBL14920531 0.71 KMT2A (0.43) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL14920299 0.71 L3MBTL1 (0.43) ALDH1A1TDP1GAAHTTL3MBTL1
SCHEMBL14920571 0.69 MAPK1 (0.53) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL10116016 0.69 TDP1 (0.55) ALDH1A1TDP1GAAHTTMEN1
SCHEMBL14920146 0.69 ALDH1A1 (0.50) ALDH1A1GAAHTTMEN1KMT2A

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-2118113-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-18 EP disclosed
WO-2008099902-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-21 WO disclosed