SCHEMBL5339083

SCHEMBL5339083

CCN(CC)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.63
FLT1 P17948 5/20 0.43
FLT4 P35916 5/20 0.43
KDR P35968 5/20 0.43
CFTR P13569 1/20 0.43
IMPDH2 P12268 4/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CDC7 O00311 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SIRT7 Q9NRC8 1/20 0.39
ALOX5 P09917 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
SCHEMBL14466984 0.92 VCP (0.63) VCPFLT1FLT4KDRCFTR
SCHEMBL5333251 0.85 IMPDH2 (0.55) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5339016 0.82 VCP (0.58) VCPFLT1FLT4KDRIMPDH2
SCHEMBL14465936 0.82 IMPDH2 (0.61) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5316737 0.82 IMPDH2 (0.55) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5342641 0.80 TRPV1 (0.61) FLT1FLT4KDRIMPDH2EIF2AK2
SCHEMBL5334372 0.78 KDR (0.59) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5469678 0.78 FLT1 (0.68) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5336169 0.78 MEN1 (0.51) VCPFLT1FLT4KDRIMPDH2
SCHEMBL5334965 0.77 VCP (0.57) VCPFLT1FLT4KDRMAPT

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 3 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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed