SCHEMBL13315382

SCHEMBL13315382

Cc1ccc(N=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 1.00
▸ MEN1 O00255 6/20 0.85
▸ KMT2A Q03164 6/20 0.85
▸ KDM4E B2RXH2 4/20 0.85
▸ L3MBTL1 Q9Y468 4/20 0.85
▸ MAPT P10636 4/20 0.85
▸ MAPK1 P28482 4/20 0.85
▸ HSD17B10 Q99714 4/20 0.85
▸ ALOX15 P16050 3/20 0.85
▸ NPSR1 Q6W5P4 3/20 0.85
▸ THRB P10828 2/20 0.85
▸ TDP1 Q9NUW8 2/20 0.85
▸ TP53 P04637 2/20 0.85
▸ SMN1; SMN2 Q16637 1/20 0.85
▸ GLA P06280 1/20 0.71
▸ PTGS2 P35354 4/20 0.62
▸ PTGS1 P23219 2/20 0.62
▸ CA12 O43570 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ CA9 Q16790 2/20 0.62

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
SCHEMBL15255720 1.00 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11038737 0.92 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11586755 0.87 ALDH1A1 (0.89) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11586759 0.87 ALDH1A1 (0.89) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL10910574 0.87 ALDH1A1 (0.89) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL20186922 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11557679 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL12633723 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL255410 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11588746 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AKDM4EL3MBTL1

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-7736708-B2 Micropattern retardation element NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-06-15 — — US disclosed
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