SCHEMBL6169729

SCHEMBL6169729

CNC(=O)Cc1onc2cc(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
RXFP1 Q9HBX9 3/20 0.38
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
HDAC4 P56524 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6169257 0.86 RXFP1 (0.50) LMNARXFP1GSK3BSMN1; SMN2L3MBTL1
SCHEMBL6167002 0.83 SMN1; SMN2 (0.40) LMNARXFP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL6167929 0.82 AURKA (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6169278 0.81 LMNA (0.42) LMNARXFP1SMN1; SMN2RAB9ANPC1
SCHEMBL6170078 0.80 KMT2A (0.42) LMNARXFP1GSK3BRAB9ANPC1
SCHEMBL30314714 0.76 MEN1 (0.38) RXFP1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6168162 0.75 RXFP1 (0.40) LMNARXFP1SMN1; SMN2RAB9ANPC1
SCHEMBL3523616 0.75 LMNA (0.47) LMNASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL17454396 0.70 ALDH1A1 (0.40) SMN1; SMN2L3MBTL1RAB9AALDH1A1MAPT
SCHEMBL6171513 0.70 BACE1 (0.41) HDAC4

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