SCHEMBL29619366

SCHEMBL29619366

NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.50
KIF11 P52732 5/20 0.47
HRH4 Q9H3N8 1/20 0.45
METAP2 P50579 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
GPR183 P32249 1/20 0.41
PARP1 P09874 2/20 0.41
MPL P40238 1/20 0.41
MAP2K4 P45985 1/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL30314640 0.87 HRH4 (0.58) P2RY14KIF11HRH4MAP2K4PLD2
SCHEMBL27904158 0.87 FLT3 (0.53) P2RY14HRH4METAP2GPR183MPL
SCHEMBL3643672 0.85 HPGD (0.54) P2RY14HRH4METAP2MPL
SCHEMBL30067540 0.84 HRH4 (0.45) P2RY14KIF11HRH4METAP2GPR183
SCHEMBL13552126 0.84 SCN10A (0.48) KIF11SCN10APLGPLAU
SCHEMBL717595 0.80 KIF11 (0.44) P2RY14KIF11HRH4PARP1MPL
SCHEMBL926647 0.80 CFTR (0.49) P2RY14KIF11HRH4PLD2PLD1
SCHEMBL34471210 0.80 CFTR (0.49) P2RY14KIF11HRH4PLD2PLD1
SCHEMBL16795602 0.80 P2RY14 (0.42) P2RY14HRH4METAP2SCN10AGPR183
SCHEMBL28858007 0.79 P2RY14 (0.49) P2RY14KIF11HRH4PARP1MAP2K4

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-4232447-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY Evotec International GmbH (DE) 2023-08-30 EP disclosed
WO-2022084447-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-04-28 WO disclosed