SCHEMBL9761616

SCHEMBL9761616

O=[N+]([O-])c1n[nH]cc1NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 2/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HCAR3 P49019 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RIPK1 Q13546 1/20 0.41
HPGD P15428 1/20 0.40
CDK2 P24941 1/20 0.40
WNK1 Q9H4A3 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.38
GABBR2 O75899 1/20 0.38

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
SCHEMBL9762434 0.77 CDK2 (0.53) MEN1KMT2APOLBMAPTLMNA
SCHEMBL21189171 0.72 MEN1 (0.55) MEN1KMT2APOLBMAPTLMNA
SCHEMBL2802597 0.71 CA1 (0.42) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL9762526 0.69 HPGD (0.42) MEN1KMT2APOLBMAPTLMNA
SCHEMBL5113145 0.68 NPSR1 (0.48) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9762599 0.68 RIPK1 (0.45) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9761845 0.68 HPGD (0.60) MEN1KMT2APOLBMAPTLMNA
SCHEMBL541921 0.67 KMT2A (0.64) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9761163 0.67 RIPK1 (0.53) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9762557 0.66 MAPT (0.37) MEN1KMT2APOLBMAPTLMNA

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