SCHEMBL10401626

SCHEMBL10401626

CCCCCCCCSc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGS2 P35354 6/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
POLB P06746 1/20 0.45
FBP1 P09467 1/20 0.44
PTGS1 P23219 2/20 0.43
CYP19A1 P11511 2/20 0.43
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL10401625 1.00 MAPT (0.52) MAPTMAPK1TDP1PTGS2ALDH1A1
SCHEMBL11132387 0.91 MAPT (0.51) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL5694459 0.90 MAPT (0.53) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL8973697 0.85 MAPT (0.54) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL13790265 0.85 THRB (0.48) THRATHRB
SCHEMBL9570633 0.83 MAPT (0.58) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL10485355 0.83 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL10485392 0.81 THRA (0.48) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL10497399 0.81 MAPT (0.48) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL10497408 0.81 MAPT (0.48) MAPTMAPK1TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937017-A Nonlinear optically responsive inorganic-organic composite compositions HOECHST CELANESE CORP. (US) 1990-06-26 US disclosed
US-4887889-A Organopolysiloxanes exhibiting nonlinear response HOECHST CELANESE CORPORATION (US) 1989-12-19 US disclosed
US-4885113-A Nonlinear optically responsive inorganic-organic composite compositions HOECHST CELANESE CORPORATION (US) 1989-12-05 US disclosed
US-4855078-A Organopolysiloxanes exhibiting nonlinear response HOECHST CELANESE CORP. (US) 1989-08-08 US disclosed
US-4807968-A Polymer blends exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-02-28 US disclosed
EP-0304051-A2 Nonlinear optically responsive inorganic-organic composite compositions HOECHST CELANESE CORPORATION (US) 1989-02-22 EP disclosed
US-4801659-A Organopolysiloxanes exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-01-31 US disclosed