SCHEMBL933474

SCHEMBL933474

NC(=O)CCCc1cccc(-c2ccncc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.57
PRMT6 Q96LA8 1/20 0.49
ABHD6 Q9BV23 2/20 0.46
CDC7 O00311 2/20 0.45
ROCK2 O75116 2/20 0.45
MAP4K4 O95819 2/20 0.45
GSK3B P49841 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MGLL Q99685 1/20 0.43
WNT3A P56704 1/20 0.43
CES1 P23141 2/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL934607 0.85 EPHX2 (0.51) PRMT6MKNK2
SCHEMBL933900 0.82 CYP17A1 (0.51) ROCK2CES1FAAHCHUKCYP17A1
SCHEMBL6037977 0.81 MAPT (0.54) PLA2G10PLA2G2ACES1FAAH
SCHEMBL5218911 0.81 TBXAS1 (0.55) PRMT6MKNK2CES1FAAH
SCHEMBL10287586 0.81 PRKCI (0.59) PRKCIPRMT6HRH3CYP17A1CYP3A4
SCHEMBL18772373 0.79 FFAR1 (0.52) PLA2G10PLA2G2A
SCHEMBL952139 0.78 CD74 (0.54) PLA2G10PLA2G2A
SCHEMBL1286084 0.78 HRH1 (0.53) HRH3CYP17A1
SCHEMBL951718 0.77 ROCK2 (0.50) ROCK2
SCHEMBL1138646 0.77 PRKCI (0.73) PRKCIPRMT6ABHD6MAP4K4HRH3

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed