SCHEMBL828336

SCHEMBL828336

CCN(C(=O)O)c1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.48
OXTR P30559 1/20 0.43
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
APAF1 O14727 1/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 3/20 0.39
PARP1 P09874 2/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL826935 0.82 FFAR1 (0.44) TNKSCASP3SENP8SENP7SENP6
SCHEMBL827412 0.80 FFAR1 (0.46) TNKSCASP3SENP8SENP7SENP6
SCHEMBL824702 0.79 TNKS (0.58) TNKSKDM4EPARP1MAPT
SCHEMBL828014 0.79 APAF1 (0.40) CASP3SENP8SENP7APAF1MAPT
SCHEMBL824671 0.78 TNKS (0.48) TNKSCASP3SENP8SENP7SENP6
SCHEMBL824665 0.78 TNKS (0.44) TNKSCASP3SENP8SENP7SENP6
SCHEMBL824608 0.77 TNKS (0.53) TNKSCASP3SENP8SENP7SENP6
SCHEMBL827108 0.77 AR (0.36) TNKSKDM4EPPARGALDH1A1NPSR1
SCHEMBL9084339 0.76 TNKS (0.48) TNKSKDM4EPARP1MAPTALDH1A1
SCHEMBL824731 0.76 TNKS (0.44) TNKSCASP3SENP8SENP7SENP6

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-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed