SCHEMBL8207403

SCHEMBL8207403

O=C1Cc2cc([N+](=O)[O-])ccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
APAF1 O14727 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 2/20 0.63
CASP6 P55212 2/20 0.57
CASP3 P42574 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
CASP4 P49662 1/20 0.57
CASP9 P55211 1/20 0.57
CASP8 Q14790 1/20 0.57
ACHE P22303 3/20 0.54
RAB9A P51151 2/20 0.52
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL11616274 0.85 CASP1 (0.60) KMT2AMEN1APAF1ALDH1A1HPGD
SCHEMBL21176664 0.81 CA12 (0.70) KMT2AMEN1HPGDCASP6CASP3
SCHEMBL8566878 0.80 KMT2A (0.71) KMT2AMEN1APAF1ALDH1A1HPGD
SCHEMBL2586644 0.78 KMT2A (1.00) KMT2AMEN1APAF1ALDH1A1HPGD
SCHEMBL29609544 0.78 KMT2A (1.00) KMT2AMEN1APAF1ALDH1A1HPGD
SCHEMBL27377022 0.76 POLB (0.62) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL27881879 0.75 CASP3 (0.81) ALDH1A1HPGDMAPTCASP6CASP3
SCHEMBL9097823 0.75 DRD2 (0.57) KMT2AMEN1ALDH1A1MAPTCASP6
SCHEMBL2616865 0.74 TDP2 (0.52) KMT2AMEN1ALDH1A1MAPTCASP6
SCHEMBL1997187 0.73 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTACHE

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-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO disclosed