SCHEMBL5319681

SCHEMBL5319681

COC(=O)Nc1ccc(Nc2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.65
KDR P35968 10/20 0.65
FLT1 P17948 9/20 0.65
FLT4 P35916 9/20 0.65
IMPDH2 P12268 4/20 0.54
ROCK1 Q13464 1/20 0.52
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50

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
SCHEMBL5322309 0.88 VCP (0.67) VCPKDRFLT1FLT4
Gw549390X SCHEMBL3295009 0.80 KDR (1.00) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5334357 0.77 KDR (0.69) VCPKDRFLT1FLT4IMPDH2
SCHEMBL21303737 0.77 VCP (0.66) VCPKDRFLT1FLT4IMPDH2
SCHEMBL15878912 0.76 KDR (0.79) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5317562 0.76 VCP (0.61) VCPKDRFLT1FLT4
SCHEMBL5475473 0.76 VCP (0.60) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5480404 0.75 KDR (0.97) VCPKDRFLT1FLT4IMPDH2
SCHEMBL8823058 0.75 PTGS2 (0.62) VCPKDRFLT1FLT4TUBB4A
Gw631581B SCHEMBL5478552 0.75 KDR (1.00) VCPKDRFLT1FLT4IMPDH2

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed