SCHEMBL11600003

SCHEMBL11600003

COc1ccc(C(N)=O)cc1.COc1ccc(N)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.84
CA1 P00915 5/20 0.84
CA2 P00918 5/20 0.84
PARP4 Q9UKK3 2/20 0.84
PARP1 P09874 1/20 0.84
PARP2 Q9UGN5 1/20 0.84
TDP1 Q9NUW8 2/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.61
MAP4K4 O95819 1/20 0.58
KMT2A Q03164 1/20 0.57
PARP15 Q460N3 1/20 0.57
PARP14 Q460N5 1/20 0.57
PARP16 Q8N5Y8 1/20 0.57
PARP11 Q9NR21 1/20 0.57
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
CHEK2 O96017 1/20 0.54
PRSS1 P07477 1/20 0.53

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
SCHEMBL201761 0.92 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL408766 0.90 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL4376056 0.90 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
SCHEMBL27571315 0.86 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL7442028 0.86 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL5836337 0.86 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
Acetic Acid SCHEMBL28396208 0.86 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL1872764 0.86 MAPK1 (0.67) PARP10CA1CA2PARP4PARP1
SCHEMBL5141691 0.86 MAPK1 (0.67) PARP10CA1CA2PARP4PARP1
Carbamic Acid SCHEMBL27853711 0.85 TDP1 (0.73) PARP10CA1CA2PARP4PARP1

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-4082749-A FROM CARBOXAMIDES AND ALKALI METAL HYPOCHLORITE, CATALYST BASF AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed