SCHEMBL12622285

SCHEMBL12622285

CCCCCCc1ccc(-c2nc(-c3ccc(CCCCCC)cn3)nc(-c3ccc(CCCCCC)cn3)n2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
NPC1 O15118 7/20 0.63
MAPT P10636 5/20 0.63
STAT3 P40763 1/20 0.63
ATM Q13315 1/20 0.63
NFKB1 P19838 5/20 0.58
NFKB2 Q00653 4/20 0.58
RELA Q04206 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL1049347 0.89 RAB9A (0.71) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL1046569 0.89 RAB9A (0.71) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976542 0.89 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9081648 0.87 RAB9A (0.69) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL12622324 0.87 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976567 0.85 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976425 0.85 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL11976559 0.84 RAB9A (0.61) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9082721 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10556991 0.83 RAB9A (0.82) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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
US-20110108770-A1 COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20110108770-A1 COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
EP-2287940-A1 COMPOSITION CONTAINING NITROGENOUS HETEROCYCLIC COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP disclosed