SCHEMBL28205643

SCHEMBL28205643

O=C=NCc1cccc(F)c1.O=C=Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
P2RX7 Q99572 8/20 0.42
TAAR1 Q96RJ0 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL5263 0.87 MIF (0.68) MIFP2RX7TAAR1MEN1KMT2A
SCHEMBL31472943 0.87 MIF (0.68) MIFP2RX7TAAR1MEN1KMT2A
SCHEMBL22588334 0.84 CYP3A4 (0.48) MIFCYP3A4TSHR
SCHEMBL3834880 0.82 CYP3A4 (0.42) MIFCYP3A4TSHR
SCHEMBL27912037 0.82 CYP3A4 (0.41) MIFMEN1KMT2ACYP3A4TSHR
SCHEMBL28279913 0.76 CYP3A4 (0.47) MIFCYP3A4TSHR
SCHEMBL115285 0.75 NPC1 (0.46) MIFMEN1KMT2ACYP3A4TSHR
SCHEMBL26785 0.75 MIF (0.47) MIFTAAR1MEN1KMT2ACYP3A4
SCHEMBL5465655 0.75 MIF (0.47) MIFTAAR1MEN1KMT2ACYP3A4
SCHEMBL22471928 0.73 MIF (0.46) MIFMEN1KMT2ACYP3A4TSHR

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-107849816-A Handle method and related cardboard and paper delivery medium through processing of the cardboard to paper delivery medium 巴斯夫欧洲公司 2018-03-27 CN disclosed