SCHEMBL6188567

SCHEMBL6188567

NC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G7 Q13093 1/20 0.41
HPGD P15428 11/20 0.40
KMT2A Q03164 2/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
FLT3 P36888 1/20 0.39
AR P10275 1/20 0.38
POLB P06746 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
SCHEMBL5950578 0.85 MAPT (0.48) ALDH1A1NPC1GAARAB9AL3MBTL1
SCHEMBL6224994 0.84 TSHR (0.46) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5950126 0.83 MAPT (0.43) ALDH1A1NPC1GAARAB9AL3MBTL1
SCHEMBL5950379 0.83 MAPT (0.50) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4024368 0.83 HPGD (0.45) ALDH1A1NPC1GAARAB9AL3MBTL1
SCHEMBL6258779 0.82 CSF1R (0.34) ALDH1A1MAPK1PDK2FLT3AR
SCHEMBL5950007 0.81 HPGD (0.42) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL5468822 0.78 MAPT (0.47) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL27974522 0.78 HPGD (0.55) ALDH1A1NPC1GAARAB9AL3MBTL1
SCHEMBL5950251 0.77 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005538152-A 2005-12-15 JP claimed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP claimed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed