SCHEMBL6828728

SCHEMBL6828728

Cc1ccc(OCC(=O)NC2CCC(Nc3ccc4ccccc4n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
ATF4 P18848 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
P2RY14 Q15391 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NOTUM Q6P988 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
SCHEMBL6460438 0.89 HPGD (0.57) HTTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL6460432 0.89 HPGD (0.57) HTTHPGDRAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6458868 0.88 HPGD (0.56) HTTHPGDRAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6458857 0.88 HPGD (0.56) HTTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL6828732 0.85 NOTUM (0.67) HTTHPGDRAB9ALMNAKMT2A
SCHEMBL6828725 0.85 NOTUM (0.67) HTTHPGDRAB9ALMNAKMT2A
SCHEMBL6460127 0.85 SMN1; SMN2 (0.62) HTTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL6462820 0.85 HPGD (0.60) HTTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL6462809 0.85 HPGD (0.60) HTTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL6460117 0.85 SMN1; SMN2 (0.62) HTTHPGDRAB9ALMNASMN1; SMN2

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
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed