SCHEMBL13848814

SCHEMBL13848814

Cc1cn(C)cc1C(=O)Nc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.53
CHRM3 P20309 4/20 0.47
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GSK3A P49840 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MET P08581 1/20 0.42
AXL P30530 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4029121 0.85 QPCT (0.41) NTRK1CHRM3ALDH1A1LMNAMAPT
SCHEMBL9979540 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL14578376 0.81 ALDH1A1 (0.43) NTRK1ALDH1A1L3MBTL1HTTLMNA
SCHEMBL14578334 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL12393705 0.81 ATM (0.62) NTRK1CHRM3ALDH1A1L3MBTL1HTT
SCHEMBL4023977 0.80 CHRM3 (0.50) NTRK1CHRM3ALDH1A1LMNAMAPT
SCHEMBL9979656 0.80 HPGD (0.59) ALDH1A1HTTLMNAMAPTKDM4E
SCHEMBL14578409 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL6029148 0.77 POLQ (0.43) NTRK1ALDH1A1HTTLMNAMAPT
SCHEMBL20875262 0.76 NTRK1 (0.52) NTRK1CHRM3ALDH1A1L3MBTL1HTT

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-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP disclosed