SCHEMBL5780405

SCHEMBL5780405

Cc1cccc(C2=NC(=O)CCN2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.45
▸ PARP10 Q53GL7 4/20 0.45
▸ PARP11 Q9NR21 4/20 0.45
▸ NISCH Q9Y2I1 1/20 0.40
▸ TYMS P04818 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ CD44 P16070 1/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ PIM2 Q9P1W9 3/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 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
SCHEMBL4395974 0.78 ALDH1A1 (0.46) PARP1PARP10PARP11NISCHALDH1A1
SCHEMBL4383292 0.75 NISCH (0.70) NISCH
SCHEMBL143761 0.72 NISCH (0.41) PARP1PARP10PARP11NISCHNUDT1
SCHEMBL30839806 0.67 CD44 (0.62) CD44NPC1ALDH1A1CYP3A4TSHR
SCHEMBL3790203 0.67 CD44 (0.62) CD44NPC1ALDH1A1CYP3A4TSHR
SCHEMBL11185836 0.66 CD44 (0.38) PARP1PARP10PARP11NISCHTYMS
Hydrochloric Acid SCHEMBL11680714 0.65 CD44 (0.59) CD44NPC1ALDH1A1CYP3A4TSHR
SCHEMBL22289770 0.63 CD44 (0.56) CD44NPC1ALDH1A1CYP3A4TSHR
SCHEMBL10912977 0.63 MAPT (0.64) PARP1PARP10PARP11NISCHTYMS
SCHEMBL831538 0.63 PARP1 (1.00) PARP1PARP10PARP11PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417204-B1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2006-01-18 — — EP disclosed
EP-1417204-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. du Pont de Nemours and Company (US) 2004-05-12 — — EP disclosed
WO-2003016304-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 — — WO disclosed
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