SCHEMBL8600301

SCHEMBL8600301

Cc1cccc(Cl)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 2/20 0.46
MAPT P10636 1/20 0.43
IRAK4 Q9NWZ3 6/20 0.42
PTGES O14684 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.40
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRIN2B Q13224 1/20 0.39
TP53 P04637 1/20 0.39
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL8601368 0.94 MAPT (0.46) PIK3C2BMAPTIRAK4SMN1; SMN2GRIN2B
SCHEMBL8668207 0.94 IRAK4 (0.45) PIK3C2BMAPTIRAK4NPC1RAB9A
SCHEMBL8598135 0.89 IRAK4 (0.44) MAPTIRAK4NPC1RAB9ADHODH
SCHEMBL8602071 0.80 MAPT (0.46) MAPTIRAK4SMN1; SMN2TP53FLT3
SCHEMBL13990316 0.80 IRAK4 (0.49) PIK3C2BMAPTIRAK4NPC1RAB9A
SCHEMBL8602363 0.80 PIK3C2B (0.52) PIK3C2BMAPTSMN1; SMN2GRIN2BTP53
SCHEMBL8601221 0.77 HPGD (0.46) MAPTPTGESSMN1; SMN2TP53KDM4E
SCHEMBL8596516 0.77 IRAK4 (0.49) IRAK4NPC1RAB9AFLT3KDM4E
SCHEMBL8565463 0.76 IRAK4 (0.48) IRAK4FLT3
SCHEMBL8595628 0.76 MAPT (0.52) PIK3C2BMAPTIRAK4SMN1; SMN2GRIN2B

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed