SCHEMBL9761232

SCHEMBL9761232

Nc1nc(NC2CCCCC2)c([N+](=O)[O-])s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
CDK2 P24941 1/20 0.48
MEN1 O00255 9/20 0.46
GABBR2 O75899 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ATM Q13315 3/20 0.45
BLM P54132 3/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9762323 0.78 NPC1 (0.49) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL9762389 0.76 KMT2A (0.43) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL9762128 0.76 KMT2A (0.44) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL19435550 0.73 LMNA (0.41) KMT2AMEN1CYP2C19TDP1NPC1
SCHEMBL9762202 0.71 KMT2A (0.42) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL9762165 0.71 KMT2A (0.44) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL27135999 0.68 MAPT (0.49) KMT2AMEN1TDP1MAPTGAA
SCHEMBL9761702 0.66 NPC1 (0.46) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL9761308 0.66 NPC1 (0.43) KMT2ACDK2MEN1GABBR2CYP1A2
SCHEMBL9761408 0.66 KMT2A (0.41) KMT2ACDK2MEN1GABBR2CYP1A2

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