SCHEMBL4785255

SCHEMBL4785255

Clc1cccc(-c2cnc3n2CCCCC3)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
HPGD P15428 4/20 0.70
LMNA P02545 4/20 0.70
HTT P42858 3/20 0.70
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
NPC1 O15118 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
AR P10275 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK1 P28482 2/20 0.58
TP53 P04637 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.45
DYRK3 O43781 2/20 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
SCHEMBL4803313 1.00 SMN1; SMN2 (0.70) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4783677 0.99 SMN1; SMN2 (0.68) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4779855 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4784543 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4785098 0.82 HPGD (0.94) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4783422 0.82 HPGD (0.94) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL30133188 0.82 LMNA (0.67) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4783580 0.81 SMN1; SMN2 (0.97) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL4783720 0.81 HPGD (0.91) SMN1; SMN2HPGDLMNAHTTMAPT
SCHEMBL2849299 0.77 HPGD (0.70) SMN1; SMN2HPGDHTTALDH1A1KDM4E

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-2008064136-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-05-29 WO disclosed