SCHEMBL5318816

SCHEMBL5318816

Clc1ccc(-c2cnc(Nc3cccc4cn[nH]c34)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT7 Q9NRC8 1/20 0.51
TRPV1 Q8NER1 8/20 0.50
VCP P55072 2/20 0.49
KDR P35968 5/20 0.43
FLT1 P17948 4/20 0.43
FLT4 P35916 4/20 0.43
NOS1 P29475 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGAT1 O75907 1/20 0.39
RET P07949 1/20 0.38

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
SCHEMBL5349266 0.83 SIRT7 (0.51) SIRT7TRPV1VCPKDRFLT1
SCHEMBL5345073 0.80 RET (0.53) TRPV1KDRFLT1FLT4RET
SCHEMBL5316979 0.76 TRPV1 (0.74) SIRT7TRPV1VCPKDRFLT1
SCHEMBL5336708 0.76 VCP (0.57) SIRT7TRPV1VCPKDRFLT1
SCHEMBL5341346 0.74 TRPV1 (0.53) SIRT7TRPV1VCPKDRFLT1
SCHEMBL5339016 0.74 VCP (0.58) SIRT7VCPKDRFLT1FLT4
SCHEMBL5343891 0.74 VCP (0.58) SIRT7VCPKDRFLT1FLT4
SCHEMBL5333207 0.72 KDR (0.54) TRPV1VCPKDRFLT1FLT4
SCHEMBL1962130 0.68 TRPV1 (0.77) SIRT7TRPV1VCPKDRFLT1
SCHEMBL5319683 0.68 KDR (0.78) SIRT7TRPV1VCPKDRFLT1

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