SCHEMBL18798552

SCHEMBL18798552

CCc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2-3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MAPT P10636 4/20 0.71
MAPK1 P28482 4/20 0.71
ALDH1A1 P00352 4/20 0.71
LMNA P02545 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
ATM Q13315 2/20 0.58
APAF1 O14727 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
THRB P10828 1/20 0.58
XBP1 P17861 1/20 0.58
PTBP1 P26599 1/20 0.58
HTT P42858 1/20 0.58
GALK1 P51570 1/20 0.58
BLM P54132 1/20 0.58
SMAD3 P84022 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL18798553 0.97 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL24136531 0.87 MAPT (0.58) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL7318179 0.85 NPC1 (0.96) NPC1RAB9ASMN1; SMN2MAPTMAPK1
9,10-Phenanthrenequinone SCHEMBL6059381 0.84 NPC1 (0.92) NPC1RAB9ASMN1; SMN2MAPTMAPK1
Anthraquinone SCHEMBL6310187 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL29352712 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL36840 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL18257832 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL8670753 0.82 MAPT (0.89) NPC1RAB9ASMN1; SMN2MAPTMAPK1
Water SCHEMBL28061572 0.82 NPC1 (0.96) NPC1RAB9ASMN1; SMN2MAPTMAPK1

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
US-9637565-B2 Photoinitiating system for anionic polymerization UVIC INDUSTRY PARTNERSHIPS INC. (US) 2017-05-02 US disclosed