SCHEMBL9191040

SCHEMBL9191040

O=C(O)Cn1ccc2cc(CBr)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
PPARD Q03181 7/20 0.49
PPARA Q07869 6/20 0.49
PPARG P37231 2/20 0.45
NTSR1 P30989 3/20 0.41
ROCK2 O75116 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
EGFR P00533 1/20 0.38
PLA2G4A P47712 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL12320222 0.84 KMT2A (0.57) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL418013 0.81 KMT2A (0.60) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL24797740 0.79 HDAC3 (0.44) KMT2ANTSR1PLA2G4A
SCHEMBL4234811 0.79 KMT2A (0.62) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL30103437 0.79 KMT2A (0.62) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL28607801 0.78 KMT2A (0.60) KMT2APPARDPPARAPPARGITGB3
SCHEMBL1576340 0.78 KMT2A (0.60) KMT2APPARDPPARAPPARG
SCHEMBL5537950 0.78 KMT2A (0.60) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL19145535 0.78 KMT2A (0.60) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL9702533 0.78 KMT2A (0.60) KMT2APPARDPPARAPPARG

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
EP-0554313-B1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0554313-A4 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
EP-0554313-A1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-08-11 EP disclosed
US-5210208-A DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-05-11 US disclosed
WO-1992005145-A1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-04-02 WO disclosed