SCHEMBL16924935

SCHEMBL16924935

C1=C/C2=C(\c3ccccc3)c3ccc([nH]3)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)C4=N/C(=C(/c5ccccc5)c5ccc([nH]5)C1=N2)C=C4)C=C3

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ ADORA2A P29274 3/20 0.31

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
SCHEMBL2240992 0.97 RAB9A (0.30) RAB9AKDM4ENPC1GLAMAPT
SCHEMBL17366426 0.84 GCGR (0.41) MAPTNPY5R
SCHEMBL28180007 0.77 ALDH1A1 (0.35) RAB9AKDM4ENPC1GLAKMT2A
SCHEMBL27979361 0.77 ALDH1A1 (0.35) RAB9AKDM4ENPC1GLAKMT2A
SCHEMBL7996476 0.77 ALDH1A1 (0.35) RAB9AKDM4ENPC1GLAKMT2A
SCHEMBL14562749 0.77 ALDH1A1 (0.35) RAB9AKDM4ENPC1GLAKMT2A
SCHEMBL2517442 0.77 ALDH1A1 (0.35) RAB9AKDM4ENPC1GLAKMT2A
SCHEMBL17366434 0.76 — —
SCHEMBL1641273 0.76 CCNB2 (0.39) RAB9AKDM4ENPC1GLAMAPT
SCHEMBL7156527 0.73 JAK2 (0.31) —

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-20150208483-A1 Infrared Modulating Electro-Fluorescence Device UNIVERSITY - INDUSTRY FOUNDATION, YONSEI UNIVERSITY (KR) 2015-07-23 — — US disclosed
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