SCHEMBL12424968

SCHEMBL12424968

O=C1NC(c2ccc(I)cc2)=C2C(=O)NC(c3ccc(I)cc3)=C12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
PTGS2 P35354 7/20 0.33
TDP2 O95551 2/20 0.33
METAP2 P50579 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
MAP2K1 Q02750 1/20 0.32
TPMT P51580 1/20 0.31
GSK3B P49841 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12509934 0.90 PTGS2 (0.45) TGM2CES1PTGS2
SCHEMBL16856686 0.88 PTGS2 (0.44) TGM2CES1PTGS2TDP2
SCHEMBL91966 0.79 PTGS2 (0.50) PTGS2TDP2MAP2K1GSK3B
SCHEMBL815442 0.79 PTGS2 (0.50) PTGS2
SCHEMBL1557038 0.79 HAO1 (0.43) TGM2CES1TDP2CA2
SCHEMBL91967 0.79 PTGS2 (0.48) PTGS2TDP2GSK3B
SCHEMBL7754290 0.79 PTGS2 (0.48) PTGS2TDP2GSK3B
SCHEMBL16492050 0.79 PTGS2 (0.52) PTGS2TDP2GSK3BCA1CA2
SCHEMBL21764396 0.79 CYP3A4 (0.43) PTGS2TDP2METAP2CA1CA2
SCHEMBL12424865 0.79 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019522-B1 NEW DERIVATIVES OF PYRROLOPYRROLE CYANINES AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2023-09-27 EP disclosed
EP-4019522-A1 NEW DERIVATIVES OF PYRROLOPYRROLE CYANINES AND USES THEREOF Centre national de la recherche scientifique (FR) 2022-06-29 EP disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
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
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed