SCHEMBL5397476

SCHEMBL5397476

CCC(CC)(Oc1ccc(C(N)=O)cc1)C1CCCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.45
PARP15 Q460N3 5/20 0.45
PARP2 Q9UGN5 3/20 0.42
PARP4 Q9UKK3 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP1 P09874 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SCN9A Q15858 1/20 0.35
AVPR1B P47901 1/20 0.35
PDE4A P27815 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
SCHEMBL11720898 0.72 NPC1 (0.36) ALDH1A1SCN9A
SCHEMBL5317949 0.68 PARP10 (0.51) PARP10PARP15PARP2ALDH1A1
SCHEMBL11717424 0.68 NPC1 (0.36) ALDH1A1
SCHEMBL11716274 0.68 SLC6A3 (0.35) ALDH1A1SCN9A
SCHEMBL26693436 0.66 PARP1 (0.51) PARP10PARP15PARP2PARP1CYP2C9
SCHEMBL4767634 0.65 PARP1 (0.50) PARP10PARP15PARP2PARP1CYP2C9
SCHEMBL7769325 0.64 PARP10 (0.61) PARP10PARP15PARP2PARP4CA1
SCHEMBL16457757 0.64 PARP10 (0.51) PARP10PARP15PARP2PARP4CA1
SCHEMBL3028371 0.63 PARP10 (0.93) PARP10PARP15PARP2PARP4CA1
Piperidine SCHEMBL28849723 0.63 PARP10 (0.70) PARP10PARP15PARP2PARP4CA1

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-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed