SCHEMBL7016197

SCHEMBL7016197

CC(C)(C)c1ccc([N+](=O)[O-])cc1-c1ccncc1.C[n+]1ccc(-c2cc([N+](=O)[O-])ccc2C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
EIF4H Q15056 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL445669 0.92 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL447975 0.91 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2SMN1; SMN2L3MBTL1
SCHEMBL429604 0.74 ALDH1A1 (0.53) CYP19A1SMN1; SMN2MEN1KMT2APDE4B
SCHEMBL2650165 0.72 MAPK14 (0.52) CYP19A1CYP11B1CYP11B2SMN1; SMN2L3MBTL1
SCHEMBL429611 0.72 ALDH1A1 (0.55) CYP19A1CYP11B1CYP11B2SMN1; SMN2L3MBTL1
SCHEMBL28506919 0.71 ALDH1A1 (0.46) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL30586132 0.70 CA2 (0.46) CYP19A1CYP11B1CYP11B2MEN1KMT2A
Iodide SCHEMBL28504446 0.70 ALDH1A1 (0.45) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL14809788 0.69 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2SMN1; SMN2L3MBTL1
Iodide SCHEMBL8102721 0.69 L3MBTL1 (0.45) L3MBTL1KMT2AMAPTCYP3A4

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-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed