SCHEMBL8174902

SCHEMBL8174902

CC(C)CNc1[c]ccc(C(=N)N)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.36
PLAU P00749 1/20 0.36
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL8170639 0.80 PLAU (0.38) PRSS1PLAUPRSS2PRSS3LOXL2
SCHEMBL8173364 0.78 PRSS1 (0.43) PRSS1PRSS2PRSS3
SCHEMBL8169762 0.75 PRSS1 (0.46) PRSS1PLAUPRSS2PRSS3LOXL2
SCHEMBL1664327 0.74 ESR1 (0.35)
SCHEMBL8170185 0.73 PLAU (0.38) PRSS1PLAUPRSS2PRSS3LOXL2
SCHEMBL8174776 0.69 PLAU (0.44) PRSS1PLAUPRSS2PRSS3
SCHEMBL1950632 0.68 PRSS1 (0.50) PRSS1PLAUPRSS2PRSS3LOXL2
SCHEMBL7985427 0.67 PRSS1 (0.41) PRSS1PLAUPRSS2PRSS3LOXL2
SCHEMBL8169486 0.67 PRSS1 (0.39) PRSS1PLAUPRSS2PRSS3
SCHEMBL1666989 0.66 IDO1 (0.40)

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-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed