SCHEMBL28295554

SCHEMBL28295554

Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)OCCO

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
PTPN11 Q06124 1/20 0.53
CDC7 O00311 1/20 0.53
DBF4 Q9UBU7 1/20 0.53
GAA P10253 2/20 0.51
PPARA Q07869 1/20 0.51
TRPM8 Q7Z2W7 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.42
PRKCZ Q05513 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 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
SCHEMBL2823686 0.89 RAB9A (0.70) RAB9APTPN11CDC7DBF4GAA
SCHEMBL4764983 0.85 RAB9A (0.58) RAB9APTPN11CDC7DBF4GAA
SCHEMBL28297235 0.84 CDC7 (0.59) RAB9ACDC7DBF4GAATRPM8
SCHEMBL28295521 0.83 CDC7 (0.57) RAB9ACDC7DBF4GAATRPM8
SCHEMBL28295570 0.83 SMN1; SMN2 (0.63) RAB9APTPN11CDC7DBF4GAA
SCHEMBL28295659 0.83 CDC7 (0.57) RAB9APTPN11CDC7DBF4GAA
SCHEMBL28297329 0.80 CDC7 (0.60) RAB9APTPN11CDC7DBF4TRPM8
SCHEMBL28297323 0.80 MEN1 (0.64) CDC7DBF4GAAPPARAKDM4E
SCHEMBL8867718 0.80 RAB9A (1.00) RAB9AGAAPPARAKDM4EMAPT
SCHEMBL28297249 0.80 CDC7 (0.53) RAB9ACDC7DBF4GAATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed