SCHEMBL28016154

SCHEMBL28016154

NCc1ccc(C(=O)n2nc(-c3cccnc3)cc2NCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.57
MAPT P10636 9/20 0.55
KLKB1 P03952 4/20 0.52
THRB P10828 2/20 0.52
TP53 P04637 1/20 0.52
KLK1 P06870 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 3/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL28016243 0.93 MAPT (0.56) F2MAPTKLKB1THRBKLK1
SCHEMBL2564484 0.92 F2 (0.60) F2MAPTKLKB1THRBTP53
SCHEMBL28016276 0.92 F2 (0.56) F2MAPTKLKB1THRBKLK1
SCHEMBL2569730 0.90 F2 (0.58) F2MAPTKLKB1THRBTP53
SCHEMBL2564190 0.89 MAPT (0.69) F2MAPTKLKB1THRBTP53
SCHEMBL2572246 0.89 F2 (0.58) F2MAPTKLKB1THRBTP53
SCHEMBL14688288 0.89 MAPT (0.58) F2MAPTKLKB1THRBTP53
SCHEMBL2567902 0.89 F2 (0.57) F2MAPTKLKB1THRBTP53
SCHEMBL2561284 0.89 GAA (0.61) F2MAPTKLKB1THRBTP53
SCHEMBL2564273 0.88 F2 (0.58) F2MAPTKLKB1THRBTP53

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