SCHEMBL6439408

SCHEMBL6439408

COC(=O)c1cccc(-c2cccc(N)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CNR2 P34972 3/20 0.46
RECQL P46063 2/20 0.46
CYP1A2 P05177 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
KARS1 Q15046 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL11158237 0.85 SCN10A (0.45) MAPTNPC1RAB9ARECQLCYP1A2
SCHEMBL6447808 0.85 SMN1; SMN2 (0.61) MAPTNPC1RAB9ARECQLCYP1A2
SCHEMBL859899 0.84 HSD17B14 (0.57) MAPTNPC1RAB9ACNR2RECQL
SCHEMBL1260197 0.83 ALDH1A1 (0.52) RAB9ACNR2GAASMN1; SMN2MEN1
SCHEMBL4592907 0.82 CNR2 (0.65) CNR2
SCHEMBL31507571 0.82 CNR2 (0.46) MAPTNPC1RAB9ACNR2RECQL
SCHEMBL19899368 0.82 CNR2 (0.46) MAPTNPC1RAB9ACNR2RECQL
SCHEMBL20929247 0.81 TRPV3 (0.47) MAPTNPC1RAB9ACNR2RECQL
SCHEMBL23037197 0.81 MAPT (0.54) MAPTNPC1RAB9ARECQLCYP1A2
SCHEMBL29595815 0.81 MAPT (0.54) MAPTNPC1RAB9ARECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
CN-1214008-C Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2005-08-10 CN disclosed
CN-1312800-A Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2001-09-12 CN disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
WO-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed