SCHEMBL29620935

SCHEMBL29620935

O=C(O)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.47
VCP P55072 4/20 0.46
PIK3CG P48736 2/20 0.41
DHODH Q02127 1/20 0.40
DGAT1 O75907 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SIRT7 Q9NRC8 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
SCHEMBL28733739 1.00 P4HTM (0.47) P4HTMVCPPIK3CGDHODHDGAT1
SCHEMBL29621007 0.89 VCP (0.45) P4HTMVCPPIK3CGDGAT1FLT1
SCHEMBL28939266 0.89 VCP (0.45) P4HTMVCPPIK3CGDGAT1FLT1
SCHEMBL28733778 0.85 VCP (0.64) P4HTMVCPPIK3CGDGAT1FLT1
SCHEMBL28939255 0.83 VCP (0.44) VCPPIK3CGDGAT1FLT1FLT4
SCHEMBL22925730 0.83 VCP (0.44) VCPPIK3CGDGAT1FLT1FLT4
SCHEMBL22925719 0.83 KMT2A (0.42) P4HTMVCPDHODH
SCHEMBL29621023 0.83 VCP (0.44) VCPPIK3CGDGAT1FLT1FLT4
SCHEMBL22925767 0.81 MAOB (0.39) P4HTMVCPPIK3CGDGAT1KDR
Hydrochloric Acid SCHEMBL28733689 0.81 MAOB (0.38) P4HTMVCPPIK3CGDGAT1KDR

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed