SCHEMBL9382403

SCHEMBL9382403

Fc1cccc2c(NCCc3ccc(OCC(F)(F)F)cc3)ncnc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.51
▸ RPS6KB1 P23443 8/20 0.51
▸ HTT P42858 4/20 0.43
▸ APP P05067 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AURKB Q96GD4 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38

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
SCHEMBL9388115 0.86 AURKA (0.42) AURKARPS6KB1HTTAPPEGFR
SCHEMBL8542072 0.84 AURKA (0.53) AURKARPS6KB1HTTAPPEGFR
SCHEMBL12340644 0.84 TP53 (0.39) AURKARPS6KB1HTTAPPEGFR
SCHEMBL9387280 0.83 HTT (0.66) AURKAHTTAPPEGFRLMNA
SCHEMBL9303626 0.82 PLAAT3 (0.48) AURKARPS6KB1HTTAPPEGFR
SCHEMBL8543977 0.81 HTT (0.64) AURKARPS6KB1HTTAPPEGFR
SCHEMBL8546280 0.81 GALR3 (0.51) AURKARPS6KB1HTTAPPEGFR
SCHEMBL12340671 0.81 AURKA (0.44) AURKARPS6KB1HTTAPPEGFR
SCHEMBL8546996 0.81 AURKA (0.48) AURKARPS6KB1HTTAPPEGFR
SCHEMBL8547776 0.80 HTT (0.54) AURKARPS6KB1HTTAPPEGFR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556375-A4 NEMATICIDAL METHOD DOWELANCO (US) 1994-05-18 — — EP claimed
EP-0556375-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-08-25 — — EP claimed
WO-1993004583-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-03-18 — — WO claimed
EP-0556375-A4 NEMATICIDAL METHOD DOWELANCO (US) 1994-05-18 — — EP disclosed
EP-0556375-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-08-25 — — EP disclosed
WO-1993004583-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-03-18 — — WO disclosed
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