SCHEMBL13972700

SCHEMBL13972700

NC1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.86
LMNA P02545 6/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.63
POLB P06746 1/20 0.61
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 2/20 0.55
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 4/20 0.53
PKN2 Q16513 3/20 0.53
TP53 P04637 3/20 0.53
RPS6KA5 O75582 2/20 0.53
LRRK2 Q5S007 2/20 0.53
CYP3A4 P08684 2/20 0.53
CDK8 P49336 2/20 0.53
CHUK O15111 1/20 0.53
PRKD3 O94806 1/20 0.53
CDK1 P06493 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
SCHEMBL1553557 0.87 ROCK2 (0.67) GLALMNAKMT2AMEN1HTT
SCHEMBL1553555 0.87 ROCK2 (0.67) GLALMNAKMT2AMEN1HTT
SCHEMBL9617879 0.87 ROCK2 (0.67) GLALMNAKMT2AMEN1HTT
SCHEMBL7520976 0.79 ROCK2 (0.76) GLALMNAKMT2AMEN1HTT
SCHEMBL30828553 0.79 ROCK2 (0.76) GLALMNAKMT2AMEN1HTT
SCHEMBL13972925 0.78 KMT2A (0.60) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL13203867 0.78 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10114127 0.78 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10113353 0.78 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14424263 0.78 GLA (0.70) GLALMNAKMT2AMEN1SMN1; SMN2

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed