SCHEMBL4779545

SCHEMBL4779545

Nc1cccn2c(-c3ccc(Cl)cc3)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
NPC1 O15118 4/20 1.00
KDM4E B2RXH2 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
MAPT P10636 2/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
L3MBTL1 Q9Y468 1/20 0.72
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
BACE1 P56817 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
TSPO P30536 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL4798554 0.84 NPC1 (1.00) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL7499663 0.76 ALDH1A1 (0.61) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL4727113 0.76 MEN1 (0.60) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL30168190 0.74 RAB9A (0.59) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL19748096 0.73 KDM4E (0.57) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL7306815 0.72 NPC1 (0.56) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL2519357 0.69 KDM4E (0.53) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL7929892 0.67 FLT3 (0.58) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL5340648 0.66 RAB9A (0.49) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL5478856 0.66 RAB9A (0.49) RAB9AALDH1A1KMT2AMEN1NPC1

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed