SCHEMBL13402170

SCHEMBL13402170

COCCCCOc1ccc(-c2ncc(C)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 6/20 0.44
CYP2C19 P33261 6/20 0.44
CYP2D6 P10635 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP19A1 P11511 5/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 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
SCHEMBL10000270 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL13310847 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10000268 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL19387236 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10502311 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8749061 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748888 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748813 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8748530 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8749126 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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
US-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed