SCHEMBL3375301

SCHEMBL3375301

NNC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MCL1 Q07820 1/20 0.58
P2RX7 Q99572 5/20 0.56
MPO P05164 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.39
BLM P54132 2/20 0.39
HIF1A Q16665 2/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL21645423 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28242655 0.81 P2RX7 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21884142 0.73 CYP1A2 (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13528835 0.73 P2RX7 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL110389 0.73 P2RX7 (1.00) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28154152 0.71 P2RX7 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28864116 0.71 P2RX7 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6221739 0.71 P2RX7 (0.64) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL23529915 0.70 GAA (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28723691 0.69 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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-1987093-B1 AN AQUEOUS DISPERSION AND A METHOD FOR APPLYING A COATING BASED ON SUCH A DISPERSION TO A SUBSTRATE TNO (NL) 2010-11-17 EP claimed