SCHEMBL9762363

SCHEMBL9762363

CCc1n[nH]c(NC2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 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
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDK2 P24941 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
RIPK1 Q13546 1/20 0.36
BLM P54132 2/20 0.36

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
SCHEMBL28823373 0.73 MAPT (0.30) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL23580730 0.71 DYRK1A (0.43) CYP1A2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL9762636 0.70 RIPK1 (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL25554703 0.69 KMT2A (0.58) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16832074 0.68 HCAR2 (0.34) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL16832298 0.68 MAPT (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9762557 0.68 MAPT (0.37) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9760940 0.66 HTT (0.35) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL4283112 0.65 HTT (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL9760928 0.65 KMT2A (0.46) KMT2AMEN1GABBR2CYP1A2CYP2C9

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