SCHEMBL6447808

SCHEMBL6447808

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 1/20 0.60
MAPT P10636 5/20 0.50
CSNK1D P48730 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GABRA2 P47869 2/20 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
SCHEMBL20657637 0.87 CYP1A2 (0.57) SMN1; SMN2CYP1A2MAPTCSNK1DALDH1A1
SCHEMBL6439408 0.85 MAPT (0.55) SMN1; SMN2CYP1A2MAPTALDH1A1KDM4E
SCHEMBL22070646 0.83 CYP1A2 (0.59) SMN1; SMN2CYP1A2MAPTALDH1A1L3MBTL1
SCHEMBL5611513 0.81 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2MAPTCSNK1DALDH1A1
SCHEMBL10507044 0.80 CYP1A2 (0.68) SMN1; SMN2CYP1A2MAPTALDH1A1KDM4E
SCHEMBL23931711 0.80 CYP1A2 (0.55) CYP1A2MAPTALDH1A1POLBMAPK1
SCHEMBL6432573 0.80 MAPT (0.65) CYP1A2MAPTALDH1A1KDM4EMAPK1
SCHEMBL8258783 0.80 CYP1A2 (0.62) CYP1A2MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2835370 0.79 CYP1A2 (0.66) CYP1A2MAPTALDH1A1KDM4EPOLB
SCHEMBL3731320 0.79 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2MAPTALDH1A1KDM4E

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