SCHEMBL9762165

SCHEMBL9762165

Nc1nsc([N+](=O)[O-])c1NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
CDK2 P24941 1/20 0.42
MEN1 O00255 9/20 0.40
ATM Q13315 3/20 0.40
BLM P54132 3/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9762602 0.77 NPC1 (0.41) KMT2ACDK2MEN1ATMBLM
SCHEMBL9762608 0.76 NPBWR1 (0.38) KMT2ACDK2MEN1ATMMAPT
SCHEMBL9761815 0.76 MAPT (0.37) KMT2ACDK2MEN1ATMBLM
SCHEMBL9761408 0.74 KMT2A (0.41) KMT2ACDK2MEN1ATMBLM
SCHEMBL9761232 0.71 KMT2A (0.50) KMT2ACDK2MEN1ATMBLM
SCHEMBL9761702 0.69 NPC1 (0.46) KMT2ACDK2MEN1ATMBLM
SCHEMBL9761403 0.66 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL9760943 0.65 KMT2A (0.37) KMT2ACDK2MEN1NPC1MITF
SCHEMBL11769911 0.64 KMT2A (0.54) KMT2ACDK2MEN1NPC1RAB9A
SCHEMBL9761831 0.63 CCR6 (0.33) MAPTALDH1A1SMN1; SMN2

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