SCHEMBL8370705

SCHEMBL8370705

Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.63
NTRK1 P04629 1/20 0.62
CDK19 Q9BWU1 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.60
TRPV1 Q8NER1 3/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
GRIK1 P39086 8/20 0.58
PTGS1 P23219 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 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
SCHEMBL1463622 0.87 TRPV1 (0.70) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL6376793 0.86 MEN1 (0.60) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL17122422 0.85 MAPT (0.74) KDRMEN1KMT2AMAPTHTT
SCHEMBL1463419 0.85 NTRK1 (0.81) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL1463167 0.84 KDR (0.73) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL16246935 0.84 KMT2A (0.77) KDRNTRK1MEN1KMT2AMAPT
SCHEMBL29572527 0.84 KMT2A (0.77) KDRNTRK1MEN1KMT2AMAPT
SCHEMBL5468450 0.83 TRPV1 (0.78) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL5476438 0.82 MEN1 (0.67) KDRNTRK1CDK19MEN1KMT2A
SCHEMBL30101230 0.82 KMT2A (0.90) KDRNTRK1CDK19MEN1KMT2A

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 10 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-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 claimed
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 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