SCHEMBL11651246

SCHEMBL11651246

COc1cccc2c1sc1nc(C)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 3/20 0.54
▸ PARP10 Q53GL7 3/20 0.54
▸ TNKS2 Q9H2K2 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36

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
SCHEMBL11651046 0.84 PARP15 (0.52) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL11651025 0.83 PARP15 (0.50) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL11649318 0.80 PTGS2 (0.39) PARP15PARP10TNKS2SMN1; SMN2KMT2A
SCHEMBL11649328 0.80 PTGS2 (0.35) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL11652101 0.78 CASR (0.34) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL11652662 0.76 PARP15 (0.54) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL11652666 0.74 PARP15 (0.51) PARP15PARP10TNKS2ALDH1A1HPGD
SCHEMBL25323644 0.70 TNKS2 (1.00) PARP15PARP10TNKS2KDM4EPARP2
SCHEMBL11646311 0.68 PARP15 (0.48) PARP15PARP10TNKS2ALDH1A1RAB9A
SCHEMBL11653477 0.65 PARP15 (0.51) PARP15PARP10TNKS2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4075218-A INSECTICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1978-02-21 — — US disclosed
US-3974286-A INSECTICIDES ELI LILLY AND COMPANY (US) 1976-08-10 — — US disclosed
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