SCHEMBL8505589

SCHEMBL8505589

COc1cc(Nc2ccccc2)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HTT P42858 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ GRIK1 P39086 4/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ RXFP1 Q9HBX9 3/20 0.56
▸ IDH2 P48735 1/20 0.56
▸ KDR P35968 4/20 0.56
▸ EGFR P00533 1/20 0.54
▸ FGFR4 P22455 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MCHR1 Q99705 1/20 0.53
▸ KIF11 P52732 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL8368351 0.91 RXFP1 (0.62) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5476438 0.84 MEN1 (0.67) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL10217915 0.83 KMT2A (0.88) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28317077 0.82 MEN1 (0.61) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8370337 0.81 NTRK1 (0.70) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28317079 0.81 IDH2 (0.70) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8370028 0.81 GRIK1 (0.65) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL18013182 0.81 TRPV1 (0.72) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL1463112 0.80 KDM4E (0.71) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28151433 0.79 GRIK1 (0.58) MAPTMEN1KMT2AHTTRAB9A

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-0910358-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1999-04-28 — — EP disclosed
WO-1997045111-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1997-12-04 — — WO disclosed
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