SCHEMBL8370207

SCHEMBL8370207

COc1ccc(OC)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 12/20 0.63
KMT2A Q03164 12/20 0.63
MAPT P10636 10/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ATM Q13315 1/20 0.61
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
POLB P06746 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
RAF1 P04049 2/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL8370028 0.91 GRIK1 (0.65) GSK3AGSK3BMEN1KMT2AMAPT
SCHEMBL1462402 0.88 NTRK1 (0.69) GSK3AGSK3BMEN1KMT2AMAPT
SCHEMBL8372525 0.87 NTRK1 (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16782003 0.86 MAPT (0.70) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL8507927 0.86 MAPT (0.62) GSK3AGSK3BTSHRMAPK1HSD17B10
SCHEMBL6372247 0.86 GSK3A (0.66) GSK3AGSK3BMEN1KMT2AMAPT
SCHEMBL1463349 0.86 GSK3A (0.66) GSK3AGSK3BMEN1KMT2AMAPT
SCHEMBL8368351 0.85 RXFP1 (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6370472 0.85 MAPT (0.72) GSK3AGSK3BTSHRMEN1KMT2A
SCHEMBL1463485 0.84 AKR1C3 (0.70) GSK3AGSK3BMEN1KMT2AMAPT

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-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