SCHEMBL809732

SCHEMBL809732

C=Cc1ccc(CCl)c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.33
SRC P12931 1/20 0.32
DHFR P00374 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL808751 0.81 ALDH1A1 (0.33) PARP1TDP1HTR1AADRA1AADRA1B
SCHEMBL810252 0.80 NPSR1 (0.43) KMT2ANPSR1LMNARAB9ASRC
SCHEMBL9845815 0.80 KMT2A (0.40) KMT2ANPSR1LMNASRCTP53
SCHEMBL810201 0.80 DYRK1A (0.43) KMT2ATP53HTR1AADRA2AADRA2B
SCHEMBL9049792 0.77 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL809371 0.75 LMNA (0.40) KMT2ALMNARAB9ATP53HTR1D
SCHEMBL810291 0.73 CYP1A2 (0.40) ALDH1A1
SCHEMBL5084622 0.71 TDP1 (0.44) LMNAPARP1TP53TDP1ESR1
SCHEMBL9296438 0.71 ALDH1A1 (0.31) KMT2ANPSR1ALDH1A1
Ammonia Solution, Strong SCHEMBL10439764 0.69 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed