SCHEMBL10596267

SCHEMBL10596267

COC(=O)NN=C=C1C=Nc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PKM P14618 1/20 0.34
CASP6 P55212 1/20 0.34
USP2 O75604 1/20 0.34
PPARG P37231 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TRPA1 O75762 5/20 0.32
LMNA P02545 2/20 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
SCHEMBL9822778 0.69 MEN1 (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14576557 0.63 MEN1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16306321 0.61 MEN1 (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28451157 0.60 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25873873 0.60 MEN1 (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2876692 0.60 ALDH1A1 (0.47) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28434287 0.59 LMNA (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
Toluene SCHEMBL28790208 0.58 PKM (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28442383 0.58 MAPT (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4673880 0.57 TRPA1 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-0135657-B1 ANTIBACTERIAL DRUGS AND/OR FEED CONCENTRATES EGIS GYOGYSZERGYAR (HU) 1989-12-27 EP claimed