SCHEMBL8657477

SCHEMBL8657477

O=C1Nc2ccc(Cl)nc2C1C(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
CASP7 P55210 1/20 0.36
GAA P10253 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
DAO P14920 1/20 0.34
GSK3B P49841 1/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL27320686 0.99 TDP1 (0.36) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL27363938 0.91 GAA (0.36) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL27401108 0.88 ALDH1A1 (0.32) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL27375350 0.88 HTT (0.34) TDP1KMT2AALDH1A1MEN1MAPT
Formanilide SCHEMBL27367773 0.88 ALDH1A1 (0.36) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL8654023 0.85 ALDH1A1 (0.35) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL8657501 0.83 MAPT (0.35) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL8659565 0.81 MEN1 (0.32) KMT2AMEN1LMNA
SCHEMBL8655558 0.80 DAO (0.36) DAO
SCHEMBL8656102 0.80 ALDH1A1 (0.40) TDP1KMT2AALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 EP disclosed