SCHEMBL10137847

SCHEMBL10137847

Bc1ccc(OCC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 5/20 0.55
▸ PARP10 Q53GL7 5/20 0.55
▸ PARP2 Q9UGN5 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL29024848 0.89 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL16902834 0.78 PARP15 (0.59) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL9966867 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL255654 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL8930160 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL24180195 0.78 PARP15 (0.55) PARP15PARP10PARP2SIGMAR1
SCHEMBL3667235 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1
SCHEMBL13135282 0.78 HPGD (0.57) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL16838742 0.78 TDP1 (0.73) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL2665020 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1

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-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO disclosed
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