SCHEMBL8657646

SCHEMBL8657646

O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MITF O75030 1/20 0.42
HPGD P15428 1/20 0.42
MC4R P32245 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDO2 P48775 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PIN1 Q13526 2/20 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
SCHEMBL1222497 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMITFMAPK1
SCHEMBL9753801 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMITFHPGD
SCHEMBL574019 0.80 MAPK1 (0.64) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL573796 0.80 MAPT (0.44) ALDH1A1MEN1KMT2AMITFHPGD
SCHEMBL573797 0.80 MAPT (0.44) ALDH1A1MEN1KMT2AMITFHPGD
SCHEMBL12884492 0.75 PIN1 (0.39) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3595491 0.72 ITGA4 (0.42) ALDH1A1MEN1KMT2AMITFMAPK1
SCHEMBL27717189 0.72 MAPT (0.48) ALDH1A1MEN1KMT2AMITFHPGD
SCHEMBL18299041 0.71 MAPK1 (0.41) ALDH1A1MEN1KMT2AMITFHPGD
SCHEMBL13617481 0.70 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US 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