SCHEMBL9874630

SCHEMBL9874630

CCOC(=O)c1cnc2nc(Cl)ccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9875486 0.88 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL1905334 0.86 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL8327448 0.84 NPC1 (0.44) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL23145042 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL29843352 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL1906531 0.83 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL8568056 0.81 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL11331742 0.80 MAPK8 (0.43) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL12089379 0.80 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL6286366 0.79 DYRK1A (0.50) KMT2AMEN1ALDH1A1KDM4ENPC1

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed