SCHEMBL4779855

SCHEMBL4779855

Clc1ccc(-c2cnc3n2CCCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
AR P10275 1/20 0.88
RAB9A P51151 1/20 0.88
HPGD P15428 6/20 0.73
HTT P42858 5/20 0.73
LMNA P02545 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPT P10636 2/20 0.73
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 2/20 0.73
KDM4E B2RXH2 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
NPC1 O15118 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HSD11B1 P28845 4/20 0.45
HSD11B2 P80365 1/20 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
SCHEMBL4784543 1.00 SMN1; SMN2 (1.00) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4783580 0.98 SMN1; SMN2 (0.97) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL14863160 0.94 RAB9A (1.00) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4785098 0.84 HPGD (0.94) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4783422 0.84 HPGD (0.94) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL948758 0.83 HPGD (0.70) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4803313 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4785255 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4783720 0.82 HPGD (0.91) SMN1; SMN2ARRAB9AHPGDHTT
SCHEMBL4783677 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ARRAB9AHPGDHTT

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