SCHEMBL8370286

SCHEMBL8370286

CC(C)(C)c1ccc(O)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.72
CDK19 Q9BWU1 1/20 0.72
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
GRIK1 P39086 7/20 0.64
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
KDR P35968 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CHRNA7 P36544 1/20 0.54
BAZ1A Q9NRL2 1/20 0.53
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL1462981 0.94 NTRK1 (0.81) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL22024980 0.88 KMT2A (0.77) KMT2AMEN1GRIK1MAPTHTT
SCHEMBL13852827 0.86 MEN1 (0.62) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL1463407 0.86 NTRK1 (0.77) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL13852793 0.84 MAPT (0.75) KMT2AMEN1GRIK1MAPTHTT
SCHEMBL29763181 0.84 NTRK1 (1.00) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL1463169 0.84 GRIK1 (0.74) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL1463468 0.84 NTRK1 (1.00) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL1462402 0.83 NTRK1 (0.69) NTRK1CDK19KMT2AMEN1GRIK1
SCHEMBL1463167 0.83 KDR (0.73) NTRK1CDK19KMT2AMEN1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693053-B1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH AS (DK) 1999-01-20 EP claimed
US-5696138-A Urea derivatives and their use NEUROSEARCH A/S (DK) 1997-12-09 US claimed
EP-0910358-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1999-04-28 EP disclosed
EP-0693053-B1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH AS (DK) 1999-01-20 EP disclosed
US-5696138-A Urea derivatives and their use NEUROSEARCH A/S (DK) 1997-12-09 US disclosed
WO-1997045111-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed
EP-0693053-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1996-01-24 EP disclosed
WO-1994022807-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1994-10-13 WO disclosed