SCHEMBL9646334

SCHEMBL9646334

CC(=O)Nc1cccc(Cc2cccc3c2c(=O)[nH]n3C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PARP14 Q460N5 2/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ERCC5 P28715 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL9646327 0.73 BRD4 (0.31) BRD4
SCHEMBL9646337 0.69 PARP1 (0.44) PARP1USP30MEN1TSHRKMT2A
SCHEMBL3507808 0.66 BRD4 (0.53) NPSR1RAB9ABRD4POLBNR4A1
SCHEMBL31667300 0.65 CHRM2 (0.43) PARP1BRD4
SCHEMBL9646454 0.65 CHRM2 (0.43) PARP1BRD4
SCHEMBL18764530 0.65 PARP1 (0.51) PARP1MEN1TSHRKMT2ANPSR1
SCHEMBL14384831 0.64 NPSR1 (0.64) PARP1MEN1TSHRKMT2ANPSR1
SCHEMBL7425747 0.64 AURKA (0.48) PARP1USP30TSHR
SCHEMBL9647856 0.64 PARP1 (0.53) PARP1MEN1TSHRKMT2ANPSR1
SCHEMBL9647852 0.64 PARP1 (0.49) PARP1MEN1TSHRKMT2ANPSR1

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-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 — — US disclosed
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