SCHEMBL27314726

SCHEMBL27314726

O=C1Nc2cnc([SH]3C=CC=C3)cc2C1C(=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8656564 0.81 TDP1 (0.41) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL27314727 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL8653719 0.76 HTT (0.35) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL8654232 0.75 POLB (0.41) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL9834046 0.72 MAPT (0.47) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL8841799 0.72 JAK3 (0.41) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL8655676 0.72 POLB (0.41) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL8820335 0.72 KCNMA1 (0.43) ALDH1A1MAPTMEN1CASP1KMT2A
SCHEMBL27346346 0.71 TDP1 (0.35) ALDH1A1KDM4EMAPTMEN1CASP1
SCHEMBL27374489 0.70

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
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed