SCHEMBL17643723

SCHEMBL17643723

CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CCN(C=N)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 5/20 0.54
▸ USP30 Q70CQ3 5/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.51
▸ GSTO1 P78417 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ NPY5R Q15761 2/20 0.47
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ SCD O00767 1/20 0.46
▸ UCHL1 P09936 1/20 0.45
▸ ACP1 P24666 1/20 0.44
▸ CNR1 P21554 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
SCHEMBL17632124 0.83 OTUD7B (0.76) OTUD7BUSP30MKNK1UCHL1
SCHEMBL25052368 0.83 OTUD7B (0.76) OTUD7BUSP30MKNK1UCHL1
SCHEMBL17643987 0.72 OTUD7B (0.53) OTUD7BUSP30NPY5R
SCHEMBL2900888 0.71 KDR (0.55) OTUD7BUSP30MKNK1GSTO1KDR
SCHEMBL19049845 0.70 OTUD7B (1.00) OTUD7BUSP30UCHL1
SCHEMBL19031337 0.70 OTUD7B (1.00) OTUD7BUSP30UCHL1
SCHEMBL17643981 0.70 OTUD7B (0.75) OTUD7BUSP30KDRUCHL1
SCHEMBL17632243 0.70 OTUD7B (0.68) OTUD7BUSP30MKNK1UCHL1
SCHEMBL25052373 0.70 OTUD7B (0.68) OTUD7BUSP30MKNK1UCHL1
SCHEMBL19281681 0.70 OTUD7B (0.71) OTUD7BUSP30MKNK1UCHL1

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-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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