SCHEMBL6432453

SCHEMBL6432453

CCOC(=O)c1ccncc1-c1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CSNK1D P48730 1/20 0.52
RAB9A P51151 6/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 2/20 0.47
NPC1 O15118 5/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PPID Q08752 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2897002 0.86 GAA (0.56) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL21056853 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6437170 0.81 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTRAB9AHPGD
SCHEMBL6439412 0.76 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL1841640 0.75 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29790003 0.75 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL27502587 0.75 MKNK1 (0.42) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6434460 0.74 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5779631 0.74 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL31083364 0.73 FNTA (0.55) SMN1; SMN2ALDH1A1MAPTKDM4EL3MBTL1

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 6 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
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