SCHEMBL12424938

SCHEMBL12424938

O=C1NC(c2cc(F)ccc2Br)=C2C(=O)NC(c3cc(F)ccc3Br)=C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FABP6 P51161 1/20 0.35
AKR1A1 P14550 2/20 0.35
AKR1B1 P15121 2/20 0.35
MEN1 O00255 1/20 0.34
PRKD3 O94806 1/20 0.34
EGFR P00533 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
MAPT P10636 1/20 0.34
SRC P12931 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 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
SCHEMBL12424872 0.81 CA9 (0.40) CA1CA2CA7CA9PARP1
SCHEMBL12424876 0.79 NISCH (0.41) CA1CA2CA7CA9PARP1
SCHEMBL12424871 0.78 TDP2 (0.46) CA1CA2CA7CA9PARP1
SCHEMBL12424889 0.75 STK10 (0.43) CA1CA2CA7CA9PARP1
SCHEMBL12424879 0.75 STK10 (0.50) STK10SLK
SCHEMBL12424918 0.73 GSK3B (0.44) CA1CA2CA7CA9PARP10
SCHEMBL12424937 0.71 TDP2 (0.41) CA1CA2CA7CA9PARP1
SCHEMBL12424865 0.69 MAPT (0.41) MEN1PRKD3EGFRPRKCGPRKCB
SCHEMBL12424939 0.68 PARP1 (0.41) PARP1
SCHEMBL12424894 0.67 GRM5 (0.37) MEN1PRKD3EGFRPRKCGPRKCB

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