SCHEMBL18893411

SCHEMBL18893411

CCCNc1cccc2nsnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ KDM4E B2RXH2 11/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 12/20 0.46
▸ HPGD P15428 6/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL12471994 0.86 MEN1 (0.49) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL22672943 0.83 KDM4E (0.49) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL11935613 0.78 KDM4E (0.44) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL13866406 0.77 ALDH1A1 (0.53) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL13564930 0.73 MEN1 (0.45) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL11941136 0.73 GRIA1 (0.45) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL12403886 0.72 MAPT (0.49) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL28454548 0.71 KDM4E (0.44) MAPTMEN1KMT2AKDM4EPKM
SCHEMBL14559557 0.71 ALDH1A1 (0.64) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15881215 0.70 ALDH1A1 (0.64) MAPTMEN1KMT2AKDM4EPKM

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-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 — — US disclosed
Send feedback