SCHEMBL6435858

SCHEMBL6435858

COC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PLK1 P53350 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
IDO1 P14902 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL6432573 0.86 MAPT (0.65) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL11154270 0.85 MAPT (0.51) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL8755657 0.85 SLC6A4 (0.50) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL11160830 0.83 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27993654 0.82 TSHR (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2661468 0.81 MEN1 (0.53) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL11021202 0.80 SLC6A4 (0.55) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL859899 0.79 HSD17B14 (0.57) MAPTSMN1; SMN2RAB9ANPC1RECQL
SCHEMBL29441715 0.79 MEN1 (0.65) SLC6A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL2878741 0.79 MEN1 (0.65) SLC6A4ALDH1A1MEN1KMT2AMAPT

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