SCHEMBL9761564

SCHEMBL9761564

Cc1nc(NC2CCCCC2)[nH]c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.52
FYN P06241 1/20 0.49
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PIM1 P11309 2/20 0.41
HTT P42858 2/20 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
SCHEMBL9761557 0.75 RIPK1 (0.46) RIPK1FYNKMT2AMAPTMEN1
SCHEMBL9760928 0.71 KMT2A (0.46) RIPK1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL9762579 0.70 KMT2A (0.46) RIPK1KMT2AMAPTMEN1LMNA
SCHEMBL9761163 0.69 RIPK1 (0.53) RIPK1FYNKMT2AMAPTMEN1
SCHEMBL9761766 0.69 RIPK1 (0.50) RIPK1FYNKMT2AMAPTMEN1
SCHEMBL7323015 0.67 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL9762563 0.66 KMT2A (0.47) RIPK1KMT2AMAPTMEN1LMNA
SCHEMBL9762636 0.65 RIPK1 (0.41) RIPK1FYNKMT2AMAPTMEN1
SCHEMBL9761608 0.65 MAPT (0.39) RIPK1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6270959 0.65 FYN (0.52) RIPK1FYNLMNAPIM1CDC7

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