SCHEMBL4062296

SCHEMBL4062296

O=C(O)c1cccc(-c2nc3ccc(Cc4ncc[nH]4)cc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
MAOA P21397 1/20 0.45
CNR1 P21554 1/20 0.45
DRD1 P21728 1/20 0.45
OPRD1 P41143 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
GPR119 Q8TDV5 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NAMPT P43490 3/20 0.41
HPSE Q9Y251 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HPN P05981 1/20 0.40
VSIR Q9H7M9 2/20 0.39
VDR P11473 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL4069529 0.81 KDM4E (0.50) TTRALBMAOACNR1DRD1
SCHEMBL9853966 0.78 TAAR1 (0.61) RAB9ATAAR1KDM4ESMN1; SMN2
SCHEMBL1675377 0.78 TTR (0.68) TTRALBMAOACNR1DRD1
SCHEMBL1675479 0.77 NPC1 (0.64) TTRALBMAOACNR1DRD1
SCHEMBL1675639 0.75 TTR (0.56) TTRALBMAOACNR1DRD1
SCHEMBL1675383 0.75 TBXAS1 (0.56)
SCHEMBL1675545 0.74 MAOA (0.55) TTRALBMAOACNR1DRD1
SCHEMBL10531244 0.74 TAAR1 (0.50) TAAR1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1675466 0.73 HPSE (0.64) TTRALBMAOACNR1DRD1
SCHEMBL7290750 0.73 TAAR1 (0.43) NPC1RAB9ATAAR1MAPTTP53

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-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed