SCHEMBL28016156

SCHEMBL28016156

NCc1ccccc1C(=O)n1nc(-c2ccccc2)cc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.53
KLKB1 P03952 3/20 0.40
MAPT P10636 3/20 0.40
F10 P00742 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
PLG P00747 1/20 0.38
F11 P03951 1/20 0.38
KLK1 P06870 1/20 0.38
CTRB1 P17538 1/20 0.38
CTRL P40313 1/20 0.38
CTRB2 Q6GPI1 1/20 0.38
CTRC Q99895 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL14688431 0.84 F2 (0.60) F2KLKB1MAPTF10SMN1; SMN2
SCHEMBL14688245 0.84 F2 (0.54) F2KLKB1MAPTF10PLG
SCHEMBL14688670 0.84 F2 (0.57) F2MAPTF10SMN1; SMN2HPGD
SCHEMBL28016276 0.83 F2 (0.56) F2KLKB1MAPTHPGDKLK1
SCHEMBL28016807 0.82 F2 (0.53) F2KLKB1MAPTHPGDKLK1
SCHEMBL2569658 0.82 F2 (0.60) F2KLKB1MAPTF10SMN1; SMN2
SCHEMBL2568614 0.81 F2 (0.54) F2KLKB1MAPTF10SMN1; SMN2
SCHEMBL2575262 0.81 F2 (0.56) F2KLKB1MAPTF10HPGD
SCHEMBL14688377 0.81 F2 (0.59) F2KLKB1MAPTF10USP2
SCHEMBL2573449 0.78 F2 (0.64) F2MAPTSMN1; SMN2HPGDUSP2

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
CN-102918034-B Polysubstituted aromatic compounds as inhibitors of thrombin VERSEON CORP 2015-06-03 CN claimed