SCHEMBL5326930

SCHEMBL5326930

COCCOCC(=O)Nc1cc(-c2ccc(-c3ccc(C)c(C)c3)cc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
POLB P06746 4/20 0.43
MALT1 Q9UDY8 1/20 0.41
NAMPT P43490 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL5304367 0.81 ALDH1A1 (0.44) MAPTPOLBMALT1MEN1KMT2A
SCHEMBL5311060 0.78 MAPT (0.49) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5306317 0.78 MAPT (0.45) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL13772498 0.77 SMN1; SMN2 (0.49) MAPTNAMPTMEN1KMT2AALDH1A1
SCHEMBL5303985 0.76 ALDH1A1 (0.53) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5301960 0.74 TSHR (0.55) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5304381 0.74 NTRK1 (0.51) MAPTPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL13772494 0.74 SOAT2 (0.52) MAPTPOLBALDH1A1LMNANPSR1
SCHEMBL5303048 0.73 GRM5 (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5306988 0.73 NPC1 (0.47) MAPTPOLBMEN1KMT2AALDH1A1

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-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed