SCHEMBL6167002

SCHEMBL6167002

O=C(Cc1onc2cc(Br)ccc12)NCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6169278 0.93 LMNA (0.42) SMN1; SMN2LMNARXFP1PTGS2NPC1
SCHEMBL6169257 0.86 RXFP1 (0.50) SMN1; SMN2LMNARXFP1NPC1RAB9A
SCHEMBL6169729 0.83 LMNA (0.38) SMN1; SMN2LMNAMAPTRXFP1NPC1
SCHEMBL6170078 0.81 KMT2A (0.42) LMNAMAPTRXFP1NPC1RAB9A
SCHEMBL6167929 0.79 AURKA (0.39) MAPTPTGS2ALDH1A1KDM4E
SCHEMBL3522105 0.77 RAB9A (0.44) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL3525870 0.70 RAB9A (0.43) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL30314714 0.70 MEN1 (0.38) SMN1; SMN2MAPTRXFP1PTGS2NPC1
SCHEMBL6169856 0.68 RAB9A (0.53) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL17438051 0.65 PTPN1 (0.42) SMN1; SMN2MAPTRXFP1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed