SCHEMBL12854082

SCHEMBL12854082

c1ccc(-c2ccccc2-c2cc3ccccc3nc2-c2nc3ccccc3cc2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ AKT1 P31749 1/20 0.49
▸ PSMB5 P28074 2/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL3359420 0.84 PSMB5 (0.65) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL29374375 0.84 PSMB5 (0.65) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL14380264 0.84 RAB9A (0.71) PDE10ANPC1RAB9AKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28129677 0.82 PSMB5 (0.63) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL31054483 0.82 PSMB5 (0.63) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL30021806 0.80 TOP1 (0.46) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL28917948 0.79 ALDH1A1 (0.55) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL2199429 0.79 PDE10A (0.53) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL24689392 0.78 KDM4E (0.64) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL4361761 0.78 PSMB5 (0.50) PDE10ANPC1RAB9AKDM4EALDH1A1

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
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 — — US disclosed
US-20120298979-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 — — US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 — — US disclosed
US-8277954-B2 Light emitting compound; high luminescence efficiency; durability FUJIFILM CORPORATION (JP) 2012-10-02 — — US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 — — US disclosed
US-20070196692-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-23 — — US disclosed
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