SCHEMBL30002207

SCHEMBL30002207

CC(=O)Nc1cccc2c1-c1ccccc1C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MAOA P21397 3/20 0.58
CYP1A2 P05177 2/20 0.55
HTR2B P41595 2/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CASP3 P42574 1/20 0.50
PARP14 Q460N5 3/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1273609 1.00 NPC1 (0.68) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL9279689 0.89 MAOA (0.66) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL2964564 0.84 MAOA (0.68) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL144325 0.81 NPC1 (1.00) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL15671596 0.79 TERT (0.45) NPC1RAB9AHTR2BALDH1A1HPGD
SCHEMBL11740054 0.77 NPC1 (0.81) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL2526502 0.77 MAOA (0.45) NPC1RAB9AMAOACYP1A2HTR2B
Sulfuric Acid SCHEMBL28964142 0.76 NPC1 (0.89) NPC1RAB9AMAOACYP1A2HTR2B
SCHEMBL16865877 0.75 MAOA (0.59) NPC1RAB9AMAOACYP1A2ALDH1A1
SCHEMBL15580935 0.75 MAOA (0.59) NPC1RAB9AMAOACYP1A2ALDH1A1

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-2022220748-A1 SYNTHESIS OF POLYNUCLEOTIDE BOTTLEBRUSH POLYMER ILLUMINA SINGAPORE PTE. LTD. (SG) 2022-10-20 WO disclosed