SCHEMBL28529893

SCHEMBL28529893

O=C(NNC(=O)c1cc[nH]n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TLR7 Q9NYK1 2/20 0.44
GAA P10253 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CDK5 Q00535 1/20 0.43
PAX8 Q06710 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL135361 0.78 KMT2A (0.50) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL19748 0.77 KMT2A (0.61) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL400890 0.77 RAB9A (0.77) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL28181800 0.77 SMN1; SMN2 (0.31) SMN1; SMN2KMT2A
SCHEMBL10042096 0.75 KDM4E (0.40) KDM4ESMN1; SMN2GAAALDH1A1HPGD
SCHEMBL12324391 0.74 RAB9A (0.82) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL10518959 0.74 KMT2A (0.34) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL696662 0.74 KMT2A (0.58) RAB9ANPC1HPGDCYP2C9MEN1
SCHEMBL11256292 0.74 F2 (0.33) RAB9ANPC1PTGS2SMN1; SMN2GAA
SCHEMBL466479 0.74

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
CN-106257976-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-02-02 CN disclosed