SCHEMBL13683523

SCHEMBL13683523

CCCNC(=O)N1N=C(C(C)C)/C(=C\C=C2\Oc3ccccc3N2C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ABL1 P00519 3/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ P2RX4 Q99571 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ P2RX1 P51575 1/20 0.32
▸ KDR P35968 1/20 0.31

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
SCHEMBL13683654 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683651 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683658 0.84 P2RX4 (0.33) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683513 0.79 MEN1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683522 0.73 MEN1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683655 0.73 MEN1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13683521 0.72 P2RX4 (0.40) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13805905 0.71 MAPT (0.40) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13805907 0.71 ALDH1A1 (0.32) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL13805889 0.70 BCHE (0.38) ALDH1A1KDM4EGAASMN1; SMN2MEN1

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-7553797-B2 Thermal transfer recording material and thermal transfer recording method KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2009-06-30 — — US disclosed
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