SCHEMBL7003117

SCHEMBL7003117

CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1C(c1ccc(OC)cc1)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.50
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 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
SCHEMBL7004614 0.85 ALDH1A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7002632 0.75 KMT2A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7006749 0.73 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5897372 0.73 FBP1 (0.57) FBP1MAPTKDM4EALDH1A1NPC1
SCHEMBL7005939 0.73 ALDH1A1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7003917 0.73 KMT2A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28457774 0.72 FBP1 (0.73) FBP1MAPTKDM4EALDH1A1NPC1
SCHEMBL28455715 0.72 FBP1 (0.56) FBP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28465212 0.71 FBP1 (0.73) FBP1MAPTKDM4EALDH1A1NPC1
SCHEMBL15333406 0.71 FBP1 (0.54) FBP1MAPTKDM4EALDH1A1NPC1

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-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed