SCHEMBL17826985

SCHEMBL17826985

CCc1cc(-c2ccc(Cl)cc2)nc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CRHR1 P34998 1/20 0.40
CTRC Q99895 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SREBF2 Q12772 1/20 0.39
MGAM O43451 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
SCHEMBL13064199 0.86 SREBF2 (0.47) MAPTTP53ADORA3ALDH1A1NPC1
SCHEMBL13064531 0.82 KMT2A (0.49) MAPTTP53ADORA3ALDH1A1RAB9A
SCHEMBL2614936 0.78 CXCL12 (0.54) CXCL12MAPTTP53ADORA3ALDH1A1
SCHEMBL2839700 0.76 KDM4E (0.48) CXCL12MAPTTP53ADORA3CTRC
SCHEMBL2836839 0.74 CTRC (0.45) CXCL12MAPTTP53ADORA3CTRC
SCHEMBL19539220 0.74 ADORA2A (0.43) MAPTTP53ALDH1A1CRHR1NPC1
SCHEMBL10272930 0.74 KMO (0.50) MAPTADORA3ALDH1A1NPC1RAB9A
SCHEMBL2841068 0.73 CTRC (0.44) CXCL12MAPTTP53ADORA3CTRC
SCHEMBL17826979 0.73 SMN1; SMN2 (0.43) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL2609395 0.72 CXCL12 (0.49) CXCL12MAPTTP53ADORA3ALDH1A1

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
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed