SCHEMBL13683598

SCHEMBL13683598

CN1N=C(C(F)(F)F)/C(=C\C=C2\CCCN2C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ PSMD14 O00487 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ IDE P14735 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL13683612 0.85 RECQL (0.46) RECQLL3MBTL1MEN1MAPTKMT2A
SCHEMBL13683614 0.85 MEN1 (0.44) RECQLL3MBTL1MEN1MAPTKMT2A
SCHEMBL13683607 0.76 MEN1 (0.44) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL13683577 0.76 L3MBTL1 (0.50) RECQLL3MBTL1MEN1MAPTKMT2A
SCHEMBL13683606 0.76 MEN1 (0.44) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL13683556 0.75 RECQL (0.49) RECQLL3MBTL1
SCHEMBL13805857 0.73 MEN1 (0.41) RECQLL3MBTL1MEN1MAPTKMT2A
SCHEMBL13683641 0.71 RECQL (0.55) RECQLL3MBTL1
SCHEMBL2058995 0.70 KMT2A (0.56) RECQLMEN1MAPTKMT2AALDH1A1
SCHEMBL2058993 0.70 KMT2A (0.56) RECQLMEN1MAPTKMT2AALDH1A1

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-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
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