SCHEMBL8620927

SCHEMBL8620927

CCOc1cnc(-c2ccc(CCC(C)O)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACACB O00763 3/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL7864933 0.85 RAB9A (0.51) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7862172 0.85 RAB9A (0.51) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8620388 0.83 ACACB (0.44) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8591293 0.82 MEN1 (0.42) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8591279 0.81 RAB9A (0.42) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7865001 0.79 RAB9A (0.53) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9638283 0.79 RAB9A (0.59) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9357386 0.79 RAB9A (0.43) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8045876 0.78 RAB9A (0.55) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8565141 0.78 RAB9A (0.55) MAPTRAB9AKDM4EALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537620-B1 Nitrogen-containing heterorings ROLIC AG (CH) 1998-01-07 EP disclosed
US-5326497-A Nitrogen heterocycles and liquid crystalline mixtures containing them HOFFMANN-LA ROCHE INC. (US) 1994-07-05 US disclosed
EP-0537620-A1 Nitrogen-containing heterorings F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed