SCHEMBL12424955

SCHEMBL12424955

COc1ccc(C2=C3C(=O)NC(c4ccc(OC)c(Br)c4)=C3C(=O)N2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.42
PTGS2 P35354 2/20 0.42
MAOB P27338 1/20 0.42
PTGS1 P23219 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL16024282 0.85 KDM4E (0.51) ALDH1A1MAPTKDM4ETHRBKDR
SCHEMBL25121148 0.79 L3MBTL1 (0.49) ALDH1A1MAPTHPGDKDM4EALOX12
SCHEMBL16024281 0.77 L3MBTL1 (0.45) ALDH1A1MAPTHPGDKDM4EALOX12
SCHEMBL12326165 0.76 MAPT (0.56) ALDH1A1MAPTPTGS2MAOBPTGS1
SCHEMBL29697785 0.76 MAPT (0.56) ALDH1A1MAPTPTGS2MAOBPTGS1
SCHEMBL22725212 0.75 MEN1 (0.40) ALDH1A1MAPTMAOBHPGDKDM4E
SCHEMBL12424939 0.75 PARP1 (0.41) ALDH1A1PIM1GSK3B
SCHEMBL12424931 0.75 BCHE (0.39) ALDH1A1MAPTPTGS2PIM1TP53
SCHEMBL5892114 0.72 GSTP1 (0.57) ALDH1A1PTGS2NPC1RAB9ACYP1A2
SCHEMBL23519894 0.72 BCHE (0.34) ALDH1A1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed