SCHEMBL5319106

SCHEMBL5319106

Clc1ccc(-c2cnc(Nc3cccnc3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT7 Q9NRC8 1/20 0.64
▸ VCP P55072 3/20 0.63
▸ KDR P35968 6/20 0.57
▸ FLT1 P17948 4/20 0.57
▸ FLT4 P35916 4/20 0.57
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ IMPDH2 P12268 2/20 0.50
▸ MAPT P10636 1/20 0.49
▸ DGAT1 O75907 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL5319550 0.84 VCP (0.72) SIRT7VCPKDRFLT1FLT4
SCHEMBL14465944 0.77 VCP (1.00) SIRT7VCPKDRFLT1FLT4
SCHEMBL14466945 0.77 VCP (0.74) SIRT7VCPKDRFLT1FLT4
SCHEMBL5316742 0.77 SIRT7 (0.60) SIRT7VCPKDRFLT1FLT4
SCHEMBL5319683 0.76 KDR (0.78) SIRT7VCPKDRFLT1FLT4
SCHEMBL22925926 0.75 VCP (0.62) SIRT7VCPKDRFLT1FLT4
SCHEMBL29620924 0.75 VCP (0.62) SIRT7VCPKDRFLT1FLT4
SCHEMBL5316979 0.75 TRPV1 (0.74) SIRT7VCPKDRFLT1FLT4
SCHEMBL28733707 0.75 TRPV1 (0.55) SIRT7VCPKDRFLT1FLT4
SCHEMBL23540651 0.74 VCP (0.69) SIRT7VCPKDRFLT1FLT4

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
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