SCHEMBL19066466

SCHEMBL19066466

O=C(Nc1ccccc1OCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
MAPT P10636 4/20 0.69
LMNA P02545 4/20 0.69
ALDH1A1 P00352 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
RORC P51449 9/20 0.69
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
PPARG P37231 1/20 0.58
THPO P40225 1/20 0.58

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
SCHEMBL19066463 0.90 SMN1; SMN2 (0.72) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL7120590 0.85 RORC (0.78) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL19066461 0.85 RORC (0.70) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL19066460 0.82 MAPT (1.00) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL19066462 0.81 RORC (0.64) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL18146442 0.79 RORC (0.81) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL29568686 0.78 RORC (1.00) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL14671422 0.78 RORC (1.00) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL6298011 0.77 RORC (1.00) SMN1; SMN2MAPTLMNAALDH1A1TDP1
SCHEMBL3832886 0.77 RORC (0.77) SMN1; SMN2MAPTLMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017115914-A1 PPARγ PHOSPHORYLATION INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 서울대학교산학협력단 2017-07-06 WO disclosed