SCHEMBL9761608

SCHEMBL9761608

CN(C)c1n[nH]c([N+](=O)[O-])c1NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
HPGD P15428 1/20 0.37
RIPK1 Q13546 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
CDK2 P24941 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33

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
SCHEMBL9760928 0.73 KMT2A (0.46) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9761854 0.71 NPC1 (0.41) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9762579 0.70 KMT2A (0.46) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9762526 0.68 HPGD (0.42) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9762597 0.68 KMT2A (0.40) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9762532 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9761564 0.65 RIPK1 (0.52) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9761845 0.64 HPGD (0.60) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9761142 0.63 NPC1 (0.46) MAPTLMNAPOLBGAAKMT2A
SCHEMBL9762363 0.62 KMT2A (0.46) MAPTLMNAPOLBGAAKMT2A

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