SCHEMBL4034948

SCHEMBL4034948

Cc1cccc(-c2ocnc2-c2cccc3cccnc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.45
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL4032702 0.91 TGFBR1 (0.46) TGFBR1CCR1CCR8CCR5MAPT
SCHEMBL4035600 0.82 TGFBR1 (0.43) TGFBR1CCR1CCR8CCR5MAPT
SCHEMBL30135394 0.80 CCR1 (0.52) TGFBR1CCR1CCR8CCR5MAPT
SCHEMBL4036048 0.79 TGFBR1 (0.45) TGFBR1CCR1CCR8CCR5MAPT
SCHEMBL4032092 0.77 TGFBR1 (0.59) TGFBR1CCR1CCR8
SCHEMBL4033193 0.77 KDM4E (0.42) TGFBR1CCR1CCR8CCR5MAPT
SCHEMBL4034944 0.76 TGFBR1 (0.53) TGFBR1MTOR
SCHEMBL4032610 0.74 TGFBR1 (0.60) TGFBR1
SCHEMBL4031433 0.72 TGFBR1 (0.54) TGFBR1
SCHEMBL4032785 0.70 TGFBR1 (0.62) TGFBR1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed