SCHEMBL9760934

SCHEMBL9760934

O=[N+]([O-])c1ccc2nc(NC3CCCCC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.60
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 4/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL4066108 0.76 LMNA (0.58) RIPK1MAPTLMNAPOLBGAA
SCHEMBL1473102 0.76 LMNA (0.58) RIPK1MAPTLMNAPOLBGAA
SCHEMBL3857798 0.75 SMN1; SMN2 (0.47) RIPK1MAPTLMNAPOLBALDH1A1
SCHEMBL4108967 0.75 MEN1 (0.43) RIPK1LMNAALDH1A1SMN1; SMN2HTR3E
SCHEMBL3403294 0.75 MEN1 (0.43) RIPK1LMNAALDH1A1SMN1; SMN2HTR3E
SCHEMBL2789608 0.75 LMNA (0.59) RIPK1MAPTLMNAPOLBGAA
SCHEMBL9760892 0.73 ALDH1A1 (0.51) RIPK1LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL3401635 0.73 HDAC6 (0.37) RIPK1MAPTALDH1A1ABCG2HTR3E
SCHEMBL3413339 0.72 HTR1A (0.40) RIPK1MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL7097532 0.72 HTR1A (0.50) RIPK1MAPTALDH1A1SMN1; SMN2HTT

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