SCHEMBL13206263

SCHEMBL13206263

CCCCOc1ccc(N2CCN(C)CC2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
WDR5 P61964 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACLY P53396 2/20 0.44
PTPN11 Q06124 2/20 0.43
HTR6 P50406 2/20 0.43
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL13206155 0.92 MAPT (0.47) LRRK2HDAC2HDAC3MAPTTSHR
SCHEMBL13206260 0.92 LRRK2 (0.47) LRRK2MAPTACLYPTPN11NPC1
SCHEMBL12121491 0.90 PTPN11 (0.43) LRRK2ACLYPTPN11TP53
SCHEMBL13206323 0.90 CYP3A4 (0.49) LRRK2MAPTACLYPTPN11CYP3A4
SCHEMBL13206147 0.90 LRRK2 (0.49) LRRK2ACLYPTPN11
SCHEMBL13206048 0.88 MCHR1 (0.43) LRRK2ACLYPTPN11
SCHEMBL13206532 0.87 LMNA (0.40) LRRK2TSHRHSD17B10ACLYPTPN11
SCHEMBL12121481 0.86 ACLY (0.44) HDAC2HDAC3MAPTACLYPTPN11
SCHEMBL13206064 0.86 RAB9A (0.51) ACLYMAPK1NPC1RAB9APOLB
SCHEMBL13206303 0.86 RAB9A (0.46) ACLYPTPN11MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed