SCHEMBL28434652

SCHEMBL28434652

O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 1.00
MEN1 O00255 11/20 1.00
CRHBP P24387 4/20 1.00
CRHR2 Q13324 4/20 1.00
NLRP3 Q96P20 1/20 1.00
POLB P06746 4/20 0.78
GAA P10253 4/20 0.78
ALDH1A1 P00352 7/20 0.72
MAPT P10636 4/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
LMNA P02545 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 1/20 0.62
KDM4E B2RXH2 1/20 0.62
UBE2N P61088 1/20 0.61

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
SCHEMBL28436333 1.00 KMT2A (1.00) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28433397 0.87 MEN1 (1.00) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28435178 0.81 MEN1 (0.77) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28723007 0.80 MEN1 (0.82) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28442097 0.80 CCR6 (0.75) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28438357 0.78 SMN1; SMN2 (0.66) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL5448244 0.77 MAPT (0.86) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL27815181 0.77 MAPT (0.67) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28103256 0.76 MEN1 (0.66) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL27903465 0.75 KMT2A (0.75) KMT2AMEN1CRHBPCRHR2NLRP3

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-107041374-B Application of N-substituted aryl (arylformamido) -N' -substituted arylformyl thiourea compound in blue algae growth inhibition 华中师范大学 2020-05-05 CN disclosed