SCHEMBL8954331

SCHEMBL8954331

CN(C)c1ccc(-c2nc3cc4sc(-c5ccc([N+](=O)[O-])cc5)nc4cc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 13/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP8 P22894 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ GLA P06280 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RORC P51449 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ JAK2 O60674 1/20 0.45

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
SCHEMBL13391681 0.91 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL1996999 0.80 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL2628260 0.80 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL3185914 0.80 APP (0.60) APPMMP2MMP9MMP8MMP13
SCHEMBL12422438 0.78 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL10311768 0.78 RORC (0.71) APPMMP2MMP9MMP8MMP13
SCHEMBL2628245 0.76 RORC (0.68) APPMMP2MMP9MMP8MMP13
SCHEMBL11973310 0.76 APP (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL5528929 0.76 MAPT (0.70) APPMAPTCYP1A2CYP3A4TSHR
SCHEMBL25027905 0.76 APP (0.63) APPGLAGAAMAPTRAB9A

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
US-H1586-H Methods of and systems for encoding and decoding a beam of light utilizing nonlinear organic signal processors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1996-09-03 — — US claimed
US-H1586-H Methods of and systems for encoding and decoding a beam of light utilizing nonlinear organic signal processors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1996-09-03 — — US disclosed
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