SCHEMBL8236015

SCHEMBL8236015

CC(C)NCC(=O)Nc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
TP53 P04637 1/20 0.37
GSK3B P49841 1/20 0.36
TRPA1 O75762 1/20 0.36
MPO P05164 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL8227750 0.95 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5338305 0.86 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AADORA3
SCHEMBL5334907 0.82 GSK3B (0.43) MAPTSMN1; SMN2NPC1RAB9AGSK3B
SCHEMBL8236012 0.82 ALDH1A1 (0.47) MAPTSMN1; SMN2GABRA2GABRB2ADORA3
SCHEMBL8236528 0.81 CXCR3 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8235194 0.77 MAPT (0.49) MAPTTP53LMNA
SCHEMBL8233961 0.77 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL8236027 0.76 KDM4E (0.40) MAPTSMN1; SMN2LMNA
SCHEMBL8233443 0.74 ADORA1 (0.42) SMN1; SMN2NPC1RAB9AADORA3ADORA2A
SCHEMBL8237709 0.74 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed