SCHEMBL13626548

SCHEMBL13626548

O=C(Nc1ccc(-c2cccc[n+]2[O-])cc1)C1Cc2ccccc2N1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TP53 P04637 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
XIAP P98170 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
CFTR P13569 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL13626486 0.85 CFTR (0.50) LMNATAS1R3TAS1R1TAS1R2CFTR
SCHEMBL13626544 0.77 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2XIAPCFTR
SCHEMBL6102700 0.77 DRD4 (0.56) LMNATP53TAS1R3TAS1R1TAS1R2
SCHEMBL28462243 0.67 CYP1A2 (0.44) LMNAHTR1ADRD2HTR2AHTR2C
SCHEMBL5303965 0.66 MAPT (0.52) LMNAMAPTMEN1GAAKMT2A
SCHEMBL13626490 0.63 CFTR (0.49) LMNATAS1R3TAS1R1TAS1R2CFTR
SCHEMBL13626481 0.63 CFTR (0.49) LMNATAS1R3TAS1R1TAS1R2CFTR
SCHEMBL13626484 0.63 CFTR (0.49) LMNATAS1R3TAS1R1TAS1R2CFTR
SCHEMBL4516247 0.63 LMNA (0.49) LMNATP53XIAP
SCHEMBL14507137 0.62 LMNA (0.49) LMNATP53

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
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed