SCHEMBL21301289

SCHEMBL21301289

Cc1cccc2oc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
GHSR Q92847 6/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
AGPAT2 O15120 1/20 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
SCHEMBL15068728 1.00 MAPT (0.39) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL21301259 0.90 MAPT (0.38) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL15068772 0.90 GHSR (0.38) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL15068986 0.90 MAPT (0.38) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL21301260 0.90 GHSR (0.38) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL15068964 0.85 HTR7 (0.41) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL21301263 0.85 KDM4E (0.57) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL15068889 0.85 KDM4E (0.57) MAPTTP53KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL15066908 0.84 HTR7 (0.41) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL15068832 0.83 ELANE (0.42) MAPTTP53RXFP1KDM4EALDH1A1

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
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed