SCHEMBL6501462

SCHEMBL6501462

O=C(O)c1cc2cnncc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 4/20 0.53
DAO P14920 4/20 0.53
HPGD P15428 3/20 0.53
GPR35 Q9HC97 3/20 0.53
MAPT P10636 1/20 0.53
SRD5A2 P31213 1/20 0.53
SMAD3 P84022 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NFKB1 P19838 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
PIN1 Q13526 1/20 0.49
PDPK1 O15530 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EIF4A3 P38919 2/20 0.45

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
SCHEMBL30119068 0.82 MAP2K1 (0.41) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL15067975 0.82 MAP2K1 (0.41) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL29414290 0.76 DAO (0.58) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL168527 0.76 DAO (0.58) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL1895337 0.76 DAO (0.58) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL25373058 0.74 GPR35 (0.51) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL1824752 0.74 GPR35 (0.51) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL2107838 0.74 PIN1 (0.56) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL1203070 0.74 F7 (0.56) KDM4EHSD17B10DAOHPGDGPR35
SCHEMBL4397741 0.74 KDM4E (0.56) KDM4EHSD17B10DAOHPGDGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013097052-A1 BROMODOMAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-07-04 WO claimed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 EP disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 WO disclosed
WO-2013097052-A1 BROMODOMAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-07-04 WO disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed