SCHEMBL28501975

SCHEMBL28501975

O=C=NCC(N=C=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ACP3 P15309 2/20 0.36
PTGS2 P35354 1/20 0.36
MIF P14174 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
GRIA4 P48058 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CYP17A1 P05093 1/20 0.31

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
SCHEMBL320976 0.90 MIF (0.42) MIFCYP2C19
SCHEMBL28234866 0.88 MIF (0.41) MIFCYP2C19
SCHEMBL2025269 0.88 MIF (0.30) MIF
SCHEMBL28219163 0.85 MIF (0.39) MIFCYP2C19
SCHEMBL28219540 0.81 MIF (0.36) MIFCYP2C19
SCHEMBL28907856 0.79 PYCR1 (0.33)
SCHEMBL2139583 0.78 MIF (0.59) MIFCYP2C19
SCHEMBL2139577 0.78 MIF (0.50) MIFCYP2C19
SCHEMBL6321421 0.74 ACP3 (0.42) FFAR1CHRNB2CHRNA4ACP3PTGS2
SCHEMBL9833550 0.74 ACP3 (0.42) FFAR1CHRNB2CHRNA4ACP3PTGS2

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-110167734-B Molded article and method for producing same 住友化学株式会社 2021-01-08 CN disclosed