SCHEMBL8114499

SCHEMBL8114499

Clc1ccccc1-c1nc(-c2ccccc2)[nH]c1-c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.76
MAPK12 P53778 10/20 0.76
MAPK11 Q15759 10/20 0.76
MAPK14 Q16539 10/20 0.76
RAF1 P04049 8/20 0.76
MAPK9 P45984 1/20 0.49
GCGR P47871 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALPL P05186 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL15401233 0.95 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL381791 0.93 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL30514842 0.93 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10078946 0.93 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10600871 0.88 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL24043905 0.87 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL22507473 0.87 MAPK14 (0.76) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27741601 0.82 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL26110700 0.82 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1040038 0.80 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed