SCHEMBL9761845

SCHEMBL9761845

O=[N+]([O-])c1cc(NC2CCCCC2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
RIPK1 Q13546 1/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK2 P24941 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
HCAR3 P49019 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
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
SCHEMBL9762599 0.72 RIPK1 (0.45) HPGDLMNAMAPTPOLBGAA
SCHEMBL9761766 0.71 RIPK1 (0.50) HPGDLMNAMAPTPOLBGAA
SCHEMBL2050024 0.71 HPGD (0.92) HPGDPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27599943 0.70 HPGD (0.41) HPGDKMT2AMEN1CDK2
SCHEMBL17645593 0.69 DYRK1A (0.47) HPGDMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9762434 0.69 CDK2 (0.53) HPGDLMNAMAPTPOLBGAA
SCHEMBL5597711 0.68 HPGD (0.46) HPGDKMT2AHCAR3KDM4E
SCHEMBL29186500 0.68 DYRK1A (0.46) HPGDMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1473102 0.68 LMNA (0.58) LMNAMAPTPOLBGAARIPK1
SCHEMBL9761616 0.68 MEN1 (0.49) HPGDLMNAMAPTPOLBGAA

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