SCHEMBL8536831

SCHEMBL8536831

Cc1[c]cccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KCNH2 Q12809 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
FGFR3 P22607 1/20 0.44
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL8536796 0.85 ALDH1A1 (0.46) KCNK3KCNK9KMT2AMEN1RXFP1
SCHEMBL8537945 0.82 PTGS1 (0.46) KCNK3KCNK9KMT2AMEN1RXFP1
SCHEMBL8542403 0.82 KCNK3 (0.41) KCNK3KCNK9KMT2AMEN1KCNH2
SCHEMBL8539472 0.80 PARP1 (0.47) KCNK3KCNK9KMT2AMEN1RXFP1
SCHEMBL8542656 0.79 KCNK3 (0.50) KCNK3KCNK9KMT2AMEN1KCNH2
SCHEMBL9304048 0.77 SIRT2 (0.55) KCNK3KCNK9KMT2AMEN1RXFP1
SCHEMBL9303041 0.76 PLAU (0.61) KCNK3KCNK9KMT2AMEN1KCNH2
SCHEMBL9303308 0.74 PTGES (0.56) KCNK3KCNK9KMT2AMEN1RXFP1
SCHEMBL6930688 0.74 KMT2A (0.62) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8542529 0.74 ITGB3 (0.50) KCNK3KCNK9SIRT2GAAMAPT

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed