SCHEMBL9358442

SCHEMBL9358442

NNC(=O)c1ccc(NN)nc1.NNC(=O)c1cnc(NN)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NNMT P40261 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC6 Q9UBN7 1/20 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
SCHEMBL218035 0.88 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL217496 0.85 NNMT (0.49) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4504976 0.75 GRM5 (0.53) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL31132753 0.74 ALDH1A1 (0.47) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL476528 0.74 ALDH1A1 (0.47) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL13977996 0.74 ALDH1A1 (0.54) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4070958 0.72 HCAR3 (0.63) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL29424855 0.72 NNMT (0.54) SMN1; SMN2NNMTHDAC6
SCHEMBL2487358 0.72 NNMT (0.54) SMN1; SMN2NNMTHDAC6
SCHEMBL28117859 0.72 NNMT (0.46) SMN1; SMN2GAANNMTHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341886-B1 Aqueous coating compositions ZENECA RESINS BV (NL) 1994-12-07 EP disclosed
US-4988762-A Crosslinking coating comprising aziridine-modified addition polymers having pendant ketones or aldehydes; protective coatings; adhesives; imination ICI RESINS B.V. (NL) 1991-01-29 US disclosed
EP-0341886-A2 Aqueous coating compositions ZENECA RESINS BV (NL) 1989-11-15 EP disclosed