SCHEMBL5692152

SCHEMBL5692152

C=CCN(CC=C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1.C=CCN(CC=C)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 5/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
SIRT6 Q8N6T7 1/20 0.35
AR P10275 6/20 0.35
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
PGR P06401 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL3058325 0.85 SIRT6 (0.42) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL3050943 0.83 ALDH1A1 (0.50) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL5692143 0.76 ALDH1A1 (0.34) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL3049898 0.75 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL5164284 0.74 ALDH1A1 (0.54) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL5692137 0.74 MAPT (0.40) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL9655029 0.72 ALDH1A1 (0.49) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL5691992 0.72 CRHR1 (0.41) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL5452124 0.71 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL31138869 0.71 ALDH1A1 (0.53) TDP1POLBALDH1A1LMNASMN1; SMN2

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-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed