SCHEMBL9196993

SCHEMBL9196993

O=C1NCCc2c(OCCc3ccccc3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.59
TRPM2 O94759 1/20 0.59
PARP11 Q9NR21 5/20 0.54
PARP10 Q53GL7 4/20 0.54
S1PR5 Q9H228 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL7588431 0.86 PARP10 (0.56) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL7582536 0.82 PARP1 (0.62) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL9196870 0.82 PARP1 (0.66) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL4717294 0.81 PARP1 (0.65) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL7586205 0.81 PARP1 (0.65) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL28350032 0.81 MRGPRX4 (0.50) S1PR5IDO1HPGDMAOAMAOB
SCHEMBL9193581 0.79 PARP1 (0.48) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL7581574 0.79 PARP1 (0.58) PARP1TRPM2PARP11PARP10HDAC1
SCHEMBL10576365 0.79 PARP1 (0.65) PARP1TRPM2PARP11PARP10HPGD
SCHEMBL15105870 0.77 TDP1 (0.53) PARP1TRPM2PARP11PARP10HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP disclosed