SCHEMBL8266155

SCHEMBL8266155

Cc1cccc(C(=O)NCc2ccc(C(=N)N)cc2NCC(=O)N(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
F2 P00734 3/20 0.41
F7 P08709 1/20 0.41
LMNA P02545 1/20 0.40
KLKB1 P03952 7/20 0.39
F10 P00742 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
PRSS1 P07477 1/20 0.38
F3 P13726 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
Hydrochloric Acid SCHEMBL5086284 0.99 CA1 (0.41) CA1CA2POLBF2F7
SCHEMBL5564415 0.89 CA1 (0.44) CA1CA2POLBF2F7
SCHEMBL5178502 0.87 CA1 (0.41) CA1CA2POLBF2F7
SCHEMBL8266398 0.87 F2 (0.44) CA1CA2POLBF2F7
Hydrochloric Acid SCHEMBL5178497 0.86 CA1 (0.41) CA1CA2POLBF2F7
Hydrochloric Acid SCHEMBL5089175 0.86 F2 (0.43) CA1CA2POLBF2F7
Hydrochloric Acid SCHEMBL5089572 0.84 CA1 (0.43) CA1CA2POLBF2F7
SCHEMBL8267082 0.84 HDAC8 (0.53) CA1CA2F2KLKB1F10
Hydrochloric Acid SCHEMBL5094118 0.83 HDAC8 (0.52) CA1CA2F2KLKB1F10
Hydrochloric Acid SCHEMBL5900692 0.83 F2 (0.47) POLBF2F7KLKB1F10

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-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed