SCHEMBL11602631

SCHEMBL11602631

Cc1ccccc1Oc1ccc(C(N)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.66
ALDH1A1 P00352 3/20 0.60
PARP15 Q460N3 3/20 0.60
PARP4 Q9UKK3 2/20 0.60
PARP14 Q460N5 2/20 0.60
KMT2A Q03164 1/20 0.60
PARP16 Q8N5Y8 1/20 0.60
PARP11 Q9NR21 1/20 0.60
MAPT P10636 1/20 0.54
LPAR1 Q92633 2/20 0.53
LPAR5 Q9H1C0 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK14 Q16539 1/20 0.52
PARP2 Q9UGN5 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL11498069 0.87 PARP10 (0.77) PARP10ALDH1A1PARP15PARP4PARP14
SCHEMBL25142213 0.86 PARP10 (0.66) PARP10ALDH1A1PARP15PARP4PARP14
SCHEMBL23463916 0.84 ALDH1A1 (0.68) PARP10ALDH1A1PARP15PARP4PARP14
SCHEMBL5608673 0.84 HPGD (0.62) PARP10ALDH1A1KMT2AMAPTLPAR1
SCHEMBL8746017 0.84 LPAR1 (0.70) PARP10ALDH1A1PARP15LPAR1LPAR5
SCHEMBL11604084 0.83 LPAR1 (0.53) PARP10ALDH1A1LPAR1LPAR5CYP1A2
SCHEMBL11603272 0.83 LPAR1 (0.68) PARP10ALDH1A1PARP15LPAR1LPAR5
SCHEMBL13687491 0.82 PARP10 (0.59) PARP10PARP15PARP14HPGDPARP2
Potassium Ion SCHEMBL11603948 0.81 LPAR1 (0.52) PARP10ALDH1A1LPAR1LPAR5CYP1A2
SCHEMBL11602845 0.81 CA2 (0.53) PARP10ALDH1A1LPAR1LPAR5CYP1A2

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
US-4098816-A HYPOGLYCEMIC AGENTS AND ANTILIPEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US disclosed