SCHEMBL19304598

SCHEMBL19304598

C[n+]1ccc(Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
NR4A1 P22736 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
FGFR2 P21802 1/20 0.30

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
Hydrochloric Acid SCHEMBL17838126 0.98 PREP (0.38) PREPGAAMAPTRAB9AKDM4E
SCHEMBL16468141 0.88 GAA (0.46) PREPGAAMAPTRAB9AKDM4E
SCHEMBL17838127 0.86 PREP (0.38) PREPGAAMAPTRAB9AKDM4E
SCHEMBL6155918 0.81 PREP (0.44) PREPGAAMAPTRAB9AKDM4E
SCHEMBL9479693 0.81 ALDH1A1 (0.46) PREPGAAMAPTRAB9AKDM4E
SCHEMBL16411847 0.81 ALDH1A1 (0.46) PREPGAAMAPTRAB9AKDM4E
SCHEMBL17782436 0.81 MAPT (0.61) PREPGAAMAPTRAB9AKDM4E
SCHEMBL16467970 0.80 SCN9A (0.44) PREPGAAMAPTRAB9AKDM4E
SCHEMBL16411531 0.80 RAD52 (0.44) PREPGAAMAPTRAB9AKDM4E
SCHEMBL16411425 0.80 PREP (0.40) PREPGAAMAPTRAB9AKDM4E

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
EP-3024833-B1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2017-09-06 EP disclosed