SCHEMBL6845255

SCHEMBL6845255

Bc1ccc2oc3ccc(I)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
APP P05067 4/20 0.42
MAOA P21397 4/20 0.41
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL13911864 0.89 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL14684135 0.80 MAOA (0.67) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL1796025 0.80 MAOA (0.67) NPC1RAB9AMAPTSMN1; SMN2GFER
Hydrochloric Acid SCHEMBL3367899 0.79 MAOA (0.64) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL2000388 0.79 PIM1 (0.49) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL1421334 0.76 APP (0.46) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL10123835 0.76 AHR (0.41) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL24688956 0.75 ALDH1A1 (0.81) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL14684134 0.75 PON1 (0.49) NPC1RAB9AMAPTSMN1; SMN2GFER
SCHEMBL10170969 0.75 CYP11B1 (0.44) NPC1RAB9AMAPTSMN1; SMN2GFER

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-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed