SCHEMBL10516552

SCHEMBL10516552

CNc1nc(Sc2ccc([N+](=O)[O-])cc2)nc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 8/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TYMS P04818 5/20 0.44
DHFR P00374 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39

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
SCHEMBL10522672 0.87 MAPT (0.54) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10516611 0.82 MAPT (0.53) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10516456 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10516058 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10518031 0.80 CYP3A4 (0.41) KDM4EMAPTMEN1KMT2ADHFR
SCHEMBL10519474 0.79 DHFR (0.52) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10521296 0.79 MAPT (0.51) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10522322 0.76 MAPT (0.66) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10515414 0.76 MAPT (0.54) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL10521999 0.73 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1MAPTMEN1

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
EP-0302311-A2 Aryloxy (or thio)aminopyrimidines BAYER AG (DE) 1989-02-08 EP disclosed