SCHEMBL29620962

SCHEMBL29620962

O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
VCP P55072 5/20 0.42
ULK1 O75385 2/20 0.40
DGAT1 O75907 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
FLT1 P17948 4/20 0.38
FLT4 P35916 4/20 0.38
KDR P35968 4/20 0.38
GCGR P47871 4/20 0.37
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL28733627 1.00 ALOX5 (0.47) ALOX5VCPULK1DGAT1HDAC6
SCHEMBL22925620 1.00 ALOX5 (0.47) ALOX5VCPULK1DGAT1HDAC6
SCHEMBL22925647 0.91 VCP (0.40) ALOX5VCPULK1DGAT1FLT1
SCHEMBL28733697 0.91 VCP (0.40) ALOX5VCPULK1DGAT1FLT1
SCHEMBL29620865 0.91 VCP (0.40) ALOX5VCPULK1DGAT1FLT1
SCHEMBL22925675 0.91 TRPV1 (0.40) ALOX5VCPDGAT1HDAC6HDAC1
SCHEMBL22925988 0.91 TRPV1 (0.40) ALOX5VCPDGAT1HDAC6HDAC1
SCHEMBL29620979 0.91 TRPV1 (0.40) ALOX5VCPDGAT1HDAC6HDAC1
SCHEMBL22925985 0.91 TRPV1 (0.40) ALOX5VCPDGAT1HDAC6HDAC1
SCHEMBL29620976 0.91 TRPV1 (0.40) ALOX5VCPDGAT1HDAC6HDAC1

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 4 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 claimed
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