SCHEMBL328313

SCHEMBL328313

COc1ccc(N/C(N)=C(/C(=N)Cl)C(N)=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 1/20 0.54
PABPC1 P11940 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL22773569 0.77 KMT2A (0.65) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL9954855 0.77 KMT2A (0.56) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL3761569 0.73 KMT2A (0.68) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL50309 0.73 KMT2A (0.67) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL31129249 0.73 KMT2A (0.67) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL10404298 0.73 KMT2A (0.67) RAB9ANPC1KDM4EALDH1A1LMNA
Nitric Acid SCHEMBL8140767 0.72 KMT2A (0.59) RAB9ANPC1KDM4EALDH1A1LMNA
Nitric Acid SCHEMBL8140768 0.72 KMT2A (0.59) RAB9ANPC1KDM4EALDH1A1LMNA
Nitric Acid SCHEMBL2086157 0.72 KMT2A (0.59) RAB9ANPC1KDM4EALDH1A1LMNA
Nitric Acid SCHEMBL27824883 0.72 KMT2A (0.59) RAB9ANPC1KDM4EALDH1A1LMNA

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-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed