SCHEMBL8038367

SCHEMBL8038367

COC(=O)c1c(Cl)nc(-c2ccc(Cl)cc2)nc1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8032664 0.89 CNR2 (0.42) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8031508 0.86 ATM (0.46) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8040669 0.86 NPSR1 (0.42) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8024878 0.85 NAMPT (0.40) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8041741 0.85 NPSR1 (0.42) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8040303 0.85 NPSR1 (0.42) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8023419 0.84 NPSR1 (0.39) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8037630 0.83 NAMPT (0.40) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8039494 0.81 VCP (0.39) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL8038516 0.81 NPSR1 (0.39) SMN1; SMN2NPC1RAB9ANPSR1HPGD

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed