SCHEMBL6169857

SCHEMBL6169857

COC(=O)C=Cc1ccc(OC)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
LY96 Q9Y6Y9 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
SCHEMBL706048 1.00 MAPT (0.53) MAPTALDH1A1MEN1KMT2ATUBB4A
SCHEMBL6170877 0.88 JUN (0.53) MAPTALDH1A1MEN1KMT2ALY96
SCHEMBL6170881 0.88 JUN (0.53) MAPTALDH1A1MEN1KMT2ALY96
SCHEMBL2700483 0.86 THRB (0.56) MAPTALDH1A1MEN1KMT2ATUBB4A
SCHEMBL2700488 0.86 THRB (0.56) MAPTALDH1A1MEN1KMT2ATUBB4A
SCHEMBL18069259 0.85 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ATUBB4A
SCHEMBL6171780 0.84 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ANFKB1
SCHEMBL6171773 0.84 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ANFKB1
SCHEMBL6171189 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6171196 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E

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
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed