SCHEMBL7100115

SCHEMBL7100115

C[AsH]Cc1sc2ccccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
GPR3 P46089 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD11B1 P28845 1/20 0.37
ROCK1 Q13464 1/20 0.36
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2388976 0.79 CNR2 (0.46) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL586085 0.77 GPR3 (0.44) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL2702753 0.77 LOXL2 (0.63) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL1035524 0.77 LOXL2 (0.48) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL719251 0.77 GPR3 (0.44) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL6323143 0.76 TAS1R3 (0.49) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL2387916 0.76 CNR2 (0.49) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL13328626 0.74 CNR1 (0.50) LOXL2GPR3TAS1R3TAS1R1ALDH1A1
SCHEMBL4775813 0.74 LOXL2 (0.42) LOXL2GPR3TAS1R3TAS1R1MEN1
SCHEMBL1253465 0.74 TAS1R3 (0.47) LOXL2GPR3TAS1R3TAS1R1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO disclosed