SCHEMBL9646337

SCHEMBL9646337

CC(=O)Nc1cccc(Cn2c(=O)c3ccccc3n2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ERCC5 P28715 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SENP5 Q96HI0 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ SENP1 Q9P0U3 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
SCHEMBL9646352 0.83 NR1H2 (0.40) PARP1MEN1KMT2AMAPTLMNA
SCHEMBL9647155 0.80 KMT2A (0.53) MEN1KMT2AMAPTLMNA
SCHEMBL31667524 0.77 P2RX4 (0.49) MEN1KMT2ATP53
SCHEMBL31667699 0.71 POLB (0.48) MEN1KMT2ATP53
SCHEMBL9647856 0.70 PARP1 (0.53) PARP1MEN1TSHRKMT2AERCC5
SCHEMBL3507808 0.70 BRD4 (0.53) NPSR1RAB9ABRD4USP2SENP5
SCHEMBL9646334 0.69 PARP1 (0.42) PARP1MEN1TSHRKMT2AERCC5
SCHEMBL9670940 0.67 L3MBTL1 (0.65) MEN1KMT2ABRD4
SCHEMBL9647043 0.67 GAA (0.44) MEN1TSHRKMT2AMAPTNPSR1
SCHEMBL8388917 0.67 NPSR1 (0.50) PARP1MEN1TSHRKMT2AERCC5

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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