SCHEMBL30211319

SCHEMBL30211319

NC(=O)c1cc(OC(F)(F)F)c2nnccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN9A Q15858 8/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
CHEK2 O96017 1/20 0.33
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
MAP2 P11137 1/20 0.33
KMO O15229 1/20 0.33
PLK1 P53350 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL30007376 0.81 TSHR (0.45) CYP2C9CYP3A4
SCHEMBL25230064 0.73 DYRK1A (0.32)
SCHEMBL4589561 0.72 TSHR (0.44) ALPLSLC6A2SLC6A4SCN9ACYP2C9
SCHEMBL3784022 0.68 SLC6A2 (0.46) ALPLSLC6A2SLC6A4SCN9AABL1
SCHEMBL3641624 0.68 APP (0.50) SLC6A2SLC6A4
SCHEMBL12970641 0.68 SLC6A2 (0.46) ALPLSLC6A2SLC6A4ABL1BCR
SCHEMBL30540337 0.68 SLC6A2 (0.46) ALPLSLC6A2SLC6A4SCN9ACHEK2
SCHEMBL14949401 0.67 EPHX1 (0.45) ALPLSLC6A2SLC6A4MAP2
SCHEMBL13733032 0.67 SLC6A2 (0.45) ALPLSLC6A2SLC6A4ABL1BCR
SCHEMBL23081287 0.67 PARP1 (0.45) ALPLSLC6A2SLC6A4ABL1BCR

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-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed