SCHEMBL9762434

SCHEMBL9762434

O=[N+]([O-])c1c[nH]nc1NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.53
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 2/20 0.45
GABBR2 O75899 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HCAR3 P49019 2/20 0.43
RIPK1 Q13546 1/20 0.42
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 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
SCHEMBL9761616 0.77 MEN1 (0.49) CDK2KMT2AMEN1POLBGABBR2
SCHEMBL9762629 0.74 CDK2 (0.52) CDK2KMT2AMEN1POLBGABBR2
SCHEMBL31668869 0.74 LMNA (0.37) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL5773361 0.73 MEN1 (0.55) CDK2KMT2AMEN1POLBCYP1A2
SCHEMBL2195964 0.72 GSR (0.52) CDK2KMT2AMEN1POLBGABBR2
SCHEMBL4281475 0.72 HPGD (0.53) KMT2AMEN1LMNAMAPTGAA
SCHEMBL2196597 0.72 KMT2A (0.50) CDK2KMT2AMEN1POLBGABBR2
SCHEMBL2193606 0.72 KMT2A (0.50) CDK2KMT2AMEN1POLBGABBR2
SCHEMBL19708805 0.72 TXNRD1 (0.58) CDK2KMT2AMEN1GABBR2CYP1A2
SCHEMBL15953915 0.71 MEN1 (0.52) CDK2KMT2AMEN1POLBGABBR2

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed