SCHEMBL17653497

SCHEMBL17653497

C(=C/c1c2ccccc2c(/C=C/c2ccccn2)c2ccccc12)\c1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
ATM Q13315 1/20 0.73
GRM4 Q14833 1/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NR4A1 P22736 1/20 0.45
NFE2L2 Q16236 4/20 0.44
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL17653498 1.00 NPC1 (0.73) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL31683743 1.00 NPC1 (0.73) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL229328 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL9394256 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL31560044 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL229329 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL31235126 0.84 NPC1 (0.50) NPC1RAB9AKMT2AMEN1ATM
Methyl Alcohol SCHEMBL28478479 0.80 NPC1 (0.89) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL6503607 0.77 KMT2A (0.52) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL18157756 0.77 KMT2A (0.52) NPC1RAB9AKMT2AMEN1ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939813-B 9-aryl-10-aryloxy anthracene derivative, preparation method thereof and application thereof as luminescent material 江西师范大学 2022-06-17 CN disclosed
US-11267979-B2 Supramolecular encrypted fluorescent security ink compositions NORTHWESTERN UNIVERSITY (US) 2022-03-08 US disclosed
US-20190169456-A1 SUPRAMOLECULAR ENCRYPTED FLUORESCENT SECURITY INK COMPOSITIONS NORTHWESTERN UNIVERSITY (US) 2019-06-06 US disclosed
US-20160137864-A1 SUPRAMOLECULAR ENCRYPTED FLUORESCENT SECURITY INK COMPOSITIONS NORTHWESTERN UNIVERSITY 2016-05-19 US disclosed
US-20160137845-A1 SUPRAMOLECULAR FLUORESCENT DYES NORTHWESTERN UNIVERSITY 2016-05-19 US disclosed
WO-2016053880-A1 SUPRAMOLECULAR FLUORESCENT DYES NORTHWESTERN UNIVERSITY (US) 2016-04-07 WO disclosed