SCHEMBL31033258

SCHEMBL31033258

Nc1c(CO)c2nc3ccc(Cl)cc3oc-2cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.47
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
S1PR3 Q99500 2/20 0.37
MAOA P21397 2/20 0.37
IDO1 P14902 1/20 0.37
MAOB P27338 1/20 0.37
XDH P47989 2/20 0.36
NLRP3 Q96P20 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL31033251 0.84 RAB9A (0.52) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL31033248 0.81 MAOA (0.58) PIK3CGMEN1KMT2ARAB9APOLB
SCHEMBL31033247 0.74 MAOA (0.43) PIK3CGMEN1KMT2ARAB9APOLB
SCHEMBL28427466 0.71 MAPT (0.68) PIK3CGMEN1KMT2ARAB9APOLB
SCHEMBL1636725 0.68 SRC (0.47) PIK3CGMEN1KMT2ARAB9APOLB
SCHEMBL4360909 0.68 APP (0.45) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL31033250 0.66 MAOA (0.58) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL9896463 0.66 PIK3CG (1.00) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL31033260 0.64 RAB9A (0.49) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL14243596 0.64 APP (0.68) PIK3CGMEN1KMT2ARAB9APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420557-B Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-11 CN disclosed
CN-118420557-A Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 CN disclosed