SCHEMBL10716611

SCHEMBL10716611

O=S(=O)(C(=CNCc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ IDO1 P14902 1/20 0.45

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
SCHEMBL10718981 0.84 ALDH1A1 (0.43) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10726650 0.78 MEN1 (0.53) NAMPTKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL10718843 0.76 ALDH1A1 (0.49) KDM4EMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL164451 0.70 NAMPT (1.00) NAMPT
SCHEMBL10725846 0.69 ALDH1A1 (0.54) NAMPTMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL24069161 0.69 CYP1A2 (0.75) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL10836333 0.69 TBXAS1 (0.71) KDM4E
SCHEMBL348709 0.68 CYP1A2 (0.68) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL11629091 0.68 KMT2A (0.80) NAMPTKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL12335097 0.68 NAMPT (0.84) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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