SCHEMBL7099732

SCHEMBL7099732

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(OC)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NLRP3 Q96P20 1/20 0.42
PTGS2 P35354 5/20 0.42
BRD4 O60885 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PTGS1 P23219 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7105813 0.86 ALDH1A1 (0.43) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL7104337 0.86 MAPT (0.42) MAPTSMN1; SMN2PDE10AALDH1A1ATM
SCHEMBL27600113 0.86 PSEN1 (0.47) PTGS2SMN1; SMN2
SCHEMBL28749912 0.86 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7097040 0.84 ESR1 (0.40) MEN1KMT2ASMN1; SMN2PDE10ACYP1A2
SCHEMBL27600105 0.83 AKR1C3 (0.40) SMN1; SMN2AKR1C3AKR1C2ALDH1A1NPSR1
SCHEMBL27600241 0.83 POLB (0.48) TDP1L3MBTL1NPC1MAPTMEN1
SCHEMBL27600103 0.82 SMN1; SMN2 (0.39) MAPTMEN1KMT2ASMN1; SMN2AKR1C3
SCHEMBL27599829 0.82 KMT2A (0.49) NPC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7098251 0.81 SMN1; SMN2 (0.39) MAPTPTGS2MEN1KMT2ASMN1; SMN2

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-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed