SCHEMBL13683527

SCHEMBL13683527

CN1N=C(C#N)/C(=C\C=C2\Oc3ccccc3N2C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ RIPK1 Q13546 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
SCHEMBL14016488 0.82 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683528 0.81 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683627 0.80 EPHX2 (0.33) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683513 0.80 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683511 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683529 0.80 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13805791 0.80 MAPT (0.37) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683512 0.80 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683533 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL13683534 0.76 P2RX4 (0.38) ALDH1A1MEN1KMT2AMAPK1MAPT

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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