SCHEMBL17065906

SCHEMBL17065906

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)Nc1ccccc1-c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
CHEK1 O14757 6/20 0.50
KDR P35968 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALPL P05186 1/20 0.42
ADORA1 P30542 1/20 0.42
RPS6KA5 O75582 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL17065901 0.91 ALDH1A1 (0.53) ALDH1A1TDP1CHEK1KDRMEN1
SCHEMBL17065910 0.86 CHEK1 (0.47) ALDH1A1TDP1CHEK1KDRMEN1
SCHEMBL17065897 0.85 CDC7 (0.47) ALDH1A1TDP1CHEK1KDRMEN1
SCHEMBL17420850 0.82 ALDH1A1 (0.66) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL17072795 0.81 ALDH1A1 (0.49) ALDH1A1TDP1CHEK1KDRMEN1
SCHEMBL17065876 0.78 ALDH1A1 (0.49) ALDH1A1TDP1CHEK1KDRMEN1
SCHEMBL18786390 0.78 KMT2A (0.62) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL25244348 0.78 ALDH1A1 (0.64) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL17065896 0.77 S100A4 (0.49) ALDH1A1TDP1KDRMEN1KMT2A
SCHEMBL17065900 0.76 ALDH1A1 (0.49) ALDH1A1TDP1KDRMEN1KMT2A

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-2015133808-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed
WO-2015133808-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed