SCHEMBL7736159

SCHEMBL7736159

CSc1sc(C(=N)N)cc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 4/20 0.55
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
PLAU P00749 6/20 0.51
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KLKB1 P03952 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43
F9 P00740 1/20 0.43
F10 P00742 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
Hydrochloric Acid SCHEMBL6922137 0.99 C1S (0.54) C1SKMT2AGAAPLAUHPGD
SCHEMBL7736645 0.89 C1S (0.55) C1SPLAU
SCHEMBL7735938 0.88 C1S (0.53) C1SKMT2APLAUALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6925651 0.88 C1S (0.54) C1SPLAU
Hydrochloric Acid SCHEMBL6924633 0.87 C1S (0.52) C1SKMT2APLAUALDH1A1L3MBTL1
SCHEMBL6927379 0.84 HPGD (0.54) KMT2AGAAHPGDALDH1A1L3MBTL1
SCHEMBL7736168 0.84 PLAU (0.49) C1SPLAU
SCHEMBL7735235 0.81 PLAU (0.54) C1SPLAUHPGDKLKB1
Hydrochloric Acid SCHEMBL6921123 0.81 PLAU (0.53) C1SPLAUKLKB1
SCHEMBL7359059 0.80 C1S (0.53) C1SPLAU

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-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed