SCHEMBL18529286

SCHEMBL18529286

O=C(NCc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.60
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABL1 P00519 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
IRAK4 Q9NWZ3 4/20 0.52
ALDH1A1 P00352 1/20 0.52
GSK3B P49841 3/20 0.52
NPBWR1 P48145 2/20 0.51
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL18541825 0.90 ABL1 (0.54) RIPK1ABL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27093079 0.84 RIPK1 (0.72) RIPK1MAPTMEN1KMT2ANPC1
SCHEMBL14300399 0.83 ABL1 (0.58) MAPTABL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28240295 0.81 RIPK1 (0.66) RIPK1MAPTMEN1KMT2AABL1
SCHEMBL5743892 0.81 RAB9A (0.74) RIPK1MAPTMEN1KMT2ANPC1
SCHEMBL18541827 0.78 GSK3B (0.59) ABL1RAB9ASMN1; SMN2GSK3B
SCHEMBL19329479 0.78 RIPK1 (0.63) RIPK1MAPTMEN1KMT2AABL1
SCHEMBL18529293 0.76 MAPT (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL31388529 0.76 RIPK1 (0.60) RIPK1MEN1KMT2AABL1SMN1; SMN2
SCHEMBL31388528 0.76 RIPK1 (0.60) RIPK1MEN1KMT2AABL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed