SCHEMBL9760928

SCHEMBL9760928

Cc1c(NC2CCCCC2)n[nH]c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 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
CDK2 P24941 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CHRM3 P20309 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
LRRK2 Q5S007 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL9761142 0.77 NPC1 (0.46) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9761608 0.73 MAPT (0.39) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9761564 0.71 RIPK1 (0.52) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762579 0.70 KMT2A (0.46) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9762434 0.70 CDK2 (0.53) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL3648202 0.68 MCHR1 (0.58) KMT2AMEN1CDK2MAPTLMNA
SCHEMBL9761845 0.67 HPGD (0.60) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL9761854 0.66 NPC1 (0.41) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL10420191 0.66 DYRK1A (0.42) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10488559 0.66 LRRK2 (0.47) MAPTCHRM3PDE4APDE4BPDE4C

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