SCHEMBL8313477

SCHEMBL8313477

COCCCNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.69
LMNA P02545 3/20 0.58
ALDH1A1 P00352 8/20 0.58
POLB P06746 1/20 0.58
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
ALPG P10696 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL14616761 0.92 LMNA (0.70) KAT2BLMNAALDH1A1POLBMAPT
SCHEMBL739541 0.89 KAT2B (0.71) KAT2BLMNAALDH1A1POLBKDM4E
SCHEMBL739095 0.86 MAPT (0.64) KAT2BLMNAALDH1A1MAPTHTT
SCHEMBL6474886 0.85 LMNA (0.57) KAT2BLMNAALDH1A1POLBKDM4E
SCHEMBL7745956 0.85 LMNA (0.57) KAT2BLMNAALDH1A1POLBMAPT
SCHEMBL741469 0.85 MAPT (0.70) KAT2BLMNAALDH1A1POLBMAPT
SCHEMBL1046670 0.85 LMNA (0.57) KAT2BLMNAALDH1A1POLBMAPT
SCHEMBL14981759 0.83 KAT2B (0.97) KAT2BMAPT
SCHEMBL17819083 0.83 KAT2B (0.72) KAT2BLMNAALDH1A1POLBMAPT
SCHEMBL2220740 0.82 MAPT (0.59) KAT2BLMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed