SCHEMBL7845384

SCHEMBL7845384

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1cccc(-c2cc([N+](=O)[O-])ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
POLB P06746 5/20 0.40
HTT P42858 4/20 0.40
ALOX5 P09917 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CNR1 P21554 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL17569636 0.86 MAPT (0.54) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL6701858 0.86 MAPT (0.54) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL19275515 0.86 MAPT (0.54) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7846551 0.86 CNR1 (0.52) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7843005 0.84 CYP17A1 (0.41) MAPTMEN1KMT2APOLBCYP17A1
SCHEMBL7847281 0.83 KMT2A (0.41) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7229054 0.82 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7841770 0.82 TRPV1 (0.46) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL7841418 0.76 CYP17A1 (0.42) MAPTRAB9ANPC1CYP17A1
SCHEMBL24341742 0.75 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed