SCHEMBL4654965

SCHEMBL4654965

Cc1cn2cc(C(=O)O)cc(N)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 9/20 0.36
GRM5 P41594 5/20 0.34
GAA P10253 6/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GFER P55789 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
RCE1 Q9Y256 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TPMT P51580 1/20 0.33
HTT P42858 1/20 0.33
PLEC Q15149 1/20 0.33

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
Bromide SCHEMBL5306710 0.98 RXFP1 (0.37) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL6217320 0.87 GRM5 (0.43) RXFP1KDM4EGRM5ALDH1A1MAPT
SCHEMBL31309742 0.83 MAPT (0.43) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
Hydrochloric Acid SCHEMBL25416874 0.82 RXFP1 (0.49) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL31309554 0.82 MYC (0.41) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL6214030 0.81 GRM5 (0.40) NPC1SMN1; SMN2RAB9AKDM4EGRM5
SCHEMBL25417959 0.81 GRM5 (0.38) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL4654873 0.80 ALDH1A1 (0.41) RXFP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL31309600 0.77 GRM5 (0.37) RXFP1KDM4EGRM5ALDH1A1
SCHEMBL31309574 0.77 RXFP1 (0.33) RXFP1NPC1SMN1; SMN2RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996589-A1 CHROMANE DERIVATIVES RaQualia Pharma Inc (JP) 2008-12-03 EP disclosed
WO-2007107827-A1 CHROMANE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2007-09-27 WO disclosed