SCHEMBL9875486

SCHEMBL9875486

CCOC(=O)c1cnc2nc(Cl)ccc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 8/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 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
SCHEMBL2022576 0.89 KMT2A (0.60) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9874630 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8322999 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL23144946 0.86 KMT2A (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29843236 0.86 KMT2A (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8564446 0.84 KMT2A (0.55) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2280172 0.78 KMT2A (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8327645 0.78 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL8566663 0.78 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL9875559 0.78 KMT2A (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A

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