SCHEMBL12424937

SCHEMBL12424937

O=C1NC(c2ccc(Br)cc2F)=C2C(=O)NC(c3ccc(Br)cc3F)=C12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41
S100A4 P26447 1/20 0.39
NMUR2 Q9GZQ4 1/20 0.38
AKR1B1 P15121 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
AKR1A1 P14550 1/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 1/20 0.38
DGAT1 O75907 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PTPRC P08575 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL12509937 0.91 TDP2 (0.36) TDP2TGM2CES1S100A4NMUR2
SCHEMBL12424871 0.81 TDP2 (0.46) TDP2TGM2AKR1B1CA1CA2
SCHEMBL12425015 0.76 TDP2 (0.46) TDP2PARP10PARP1ALOX5APFEN1
SCHEMBL12424894 0.75 GRM5 (0.37) TGM2
SCHEMBL14520998 0.73 DGAT1 (0.46) S100A4NMUR2CA1CA2CA4
SCHEMBL31310573 0.73 DGAT1 (0.46) S100A4NMUR2CA1CA2CA4
SCHEMBL12424862 0.73 GSK3B (0.44) CA1CA2CA7CA9MAOA
SCHEMBL2713042 0.72 TDP2 (0.42) TDP2TGM2CES1S100A4NMUR2
SCHEMBL12424892 0.72 GRM5 (0.35) TDP2CES1
SCHEMBL12424938 0.71 CA1 (0.38) TGM2AKR1B1CA1CA2CA4

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