SCHEMBL10485355

SCHEMBL10485355

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11132387 0.91 MAPT (0.51) MAPTALDH1A1POLBKCNH2THRA
SCHEMBL5694459 0.90 MAPT (0.53) MAPTALDH1A1POLBKCNH2THRA
SCHEMBL8973697 0.85 MAPT (0.54) MAPTALDH1A1POLBMGLLNPC1
SCHEMBL10300068 0.85 THRB (0.48) ALDH1A1KCNH2THRATHRBNPC1
SCHEMBL10401625 0.83 MAPT (0.52) MAPTALDH1A1POLBKCNH2THRA
SCHEMBL9570633 0.83 MAPT (0.58) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL10401626 0.83 MAPT (0.52) MAPTALDH1A1POLBKCNH2THRA
SCHEMBL10485392 0.81 THRA (0.48) MAPTALDH1A1POLBKCNH2THRA
SCHEMBL10485905 0.80 MAPT (0.55) MAPTALDH1A1KCNH2MGLLNPC1
SCHEMBL8811170 0.78 MAPT (0.58) MAPTALDH1A1POLBMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4887889-A Organopolysiloxanes exhibiting nonlinear response HOECHST CELANESE CORPORATION (US) 1989-12-19 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
US-4801659-A Organopolysiloxanes exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-01-31 US disclosed