SCHEMBL29620848

SCHEMBL29620848

N=C(NO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
KDR P35968 9/20 0.40
VCP P55072 4/20 0.38
FLT1 P17948 7/20 0.37
FLT4 P35916 7/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT7 Q9NRC8 1/20 0.33

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
SCHEMBL22925709 1.00 ALOX5 (0.47) ALOX5KDRVCPFLT1FLT4
SCHEMBL24637017 0.88 TRPV1 (0.48) ALOX5KDRVCPFLT1FLT4
SCHEMBL29620978 0.88 ALOX5 (0.38) ALOX5KDRVCPFLT1FLT4
SCHEMBL22925612 0.88 ALOX5 (0.38) ALOX5KDRVCPFLT1FLT4
SCHEMBL22925599 0.86 ALOX5 (0.34) ALOX5KDRNPC1RAB9AMEN1
SCHEMBL22925708 0.81 ALOX5 (0.46) ALOX5KDRVCPFLT1FLT4
SCHEMBL28733644 0.81 ALOX5 (0.46) ALOX5KDRVCPFLT1FLT4
SCHEMBL22925712 0.75 ALOX5 (0.47) ALOX5KDRVCPFLT1FLT4
SCHEMBL22925659 0.74 TRPV1 (0.45) KDRHDAC1HDAC6TRPV1
SCHEMBL29696299 0.74 TRPV1 (0.45) KDRHDAC1HDAC6TRPV1

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