SCHEMBL4783580

SCHEMBL4783580

Clc1ccc(-c2cnc3n2CCCC3)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.97
RAB9A P51151 2/20 0.91
AR P10275 1/20 0.91
HPGD P15428 5/20 0.70
HTT P42858 5/20 0.70
LMNA P02545 4/20 0.70
MAPT P10636 2/20 0.70
MAPK1 P28482 2/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPC1 O15118 2/20 0.70
KDM4E B2RXH2 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSD11B1 P28845 3/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL4784543 0.98 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4779855 0.98 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL14863160 0.95 RAB9A (1.00) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4783720 0.83 HPGD (0.91) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4785098 0.82 HPGD (0.94) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4783422 0.82 HPGD (0.94) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4783677 0.82 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4803313 0.81 SMN1; SMN2 (0.70) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL4785255 0.81 SMN1; SMN2 (0.70) SMN1; SMN2RAB9AARHPGDHTT
SCHEMBL948758 0.81 HPGD (0.70) SMN1; SMN2RAB9AARHPGDHTT

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