SCHEMBL6584622

SCHEMBL6584622

COc1ccc(NC2CC(C)Nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
P2RY1 P47900 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CREBBP Q92793 1/20 0.38
PTGIR P43119 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL17503197 0.88 GAA (0.45) GAATSHRMAPTALDH1A1BRD4
SCHEMBL17503195 0.88 GAA (0.45) GAATSHRMAPTALDH1A1BRD4
SCHEMBL17503193 0.88 GAA (0.45) GAATSHRMAPTALDH1A1BRD4
SCHEMBL17503246 0.88 GAA (0.45) GAATSHRMAPTALDH1A1BRD4
SCHEMBL17503245 0.88 GAA (0.45) GAATSHRMAPTALDH1A1BRD4
SCHEMBL4197722 0.86 LMNA (0.39) TSHRMAPTALDH1A1BRD4BRD2
SCHEMBL6278089 0.86 LMNA (0.39) TSHRMAPTALDH1A1BRD4BRD2
SCHEMBL4127615 0.86 LMNA (0.39) TSHRMAPTALDH1A1BRD4BRD2
SCHEMBL6975204 0.86 LMNA (0.39) TSHRMAPTALDH1A1BRD4BRD2
SCHEMBL4123720 0.86 LMNA (0.39) TSHRMAPTALDH1A1BRD4BRD2

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-1377553-A1 TETRAHYDROQUINOLINE DERIVATIVES AS STAT6-MODULATORS, PREPARATION AND USE THEREOF AstraZeneca AB (SE) 2004-01-07 EP disclosed
WO-2002079165-A1 TETRAHYDROQUINOLINE DERIVATIVES AS STAT6-MODULATORS, PREPARATION AND USE THEREOF ASTRAZENECA AB (SE) 2002-10-10 WO disclosed