SCHEMBL20125032

SCHEMBL20125032

Cc1cc(N)c(N)c(C=N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.32
ERN1 O75460 1/20 0.32
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL23564956 0.82 KDM4E (0.41) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL24629888 0.78 GAA (0.36) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL20676095 0.78 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4ERN1
SCHEMBL12968545 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL19248985 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL8338685 0.73 TDP1 (0.52) ALDH1A1MAPTTSHRTDP1ALOX15
SCHEMBL8342343 0.73 TDP1 (0.52) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL24629951 0.71 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL360400 0.67 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL29568340 0.67 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTLMNA

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed