SCHEMBL21130380

SCHEMBL21130380

C=CCc1ccccc1/C=N\CO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 4/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
ALOX12 P18054 2/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA9 Q16790 2/20 0.37

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
SCHEMBL8559991 0.81 HPGD (0.53) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL11087194 0.81 HPGD (0.53) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL10429393 0.77 GABRA1 (0.50) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL21629335 0.76 KMT2A (0.40) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL21629336 0.76 KMT2A (0.40) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL11371187 0.75 SIRT2 (0.43) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL3297831 0.74 GABRA1 (0.47) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL30679 0.74 GABRA1 (0.47) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL435635 0.74 LMNA (0.52) KMT2AMEN1LMNAALDH1A1GABRA1
SCHEMBL7911646 0.72 GABRA1 (0.45) KMT2AMEN1LMNAALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498717-A1 COMPOSITION FOR HARDENING SOFT TISSUE The Catholic University of Korea Industry-Academic Cooperation Foundation (KR) 2019-06-19 EP disclosed