SCHEMBL9762599

SCHEMBL9762599

O=[N+]([O-])c1nc(NC2CCCCC2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
CDK2 P24941 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
BLM P54132 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 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
SCHEMBL9761163 0.74 RIPK1 (0.53) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9761845 0.72 HPGD (0.60) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9762434 0.69 CDK2 (0.53) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9762563 0.68 KMT2A (0.47) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9762328 0.68 NPC1 (0.50) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9761616 0.68 MEN1 (0.49) RIPK1MAPTLMNAPOLBGAA
SCHEMBL4066108 0.68 LMNA (0.58) RIPK1MAPTLMNAPOLBGAA
SCHEMBL1473102 0.68 LMNA (0.58) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9760934 0.66 RIPK1 (0.60) RIPK1MAPTLMNAPOLBGAA
SCHEMBL2789608 0.66 LMNA (0.59) RIPK1MAPTLMNAPOLBGAA

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