SCHEMBL7140577

SCHEMBL7140577

O=S(=O)(Cc1ccccc1)OSc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
FAAH O00519 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.38
PRSS3 P35030 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7141190 0.76 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1POLBTDP1
SCHEMBL28588859 0.75 EHMT2 (0.47) KMT2AEHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL7133969 0.75 EHMT2 (0.47) KMT2AEHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL31487780 0.72 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1FAAHPRSS1
SCHEMBL10848414 0.71 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1FAAHPRSS1
SCHEMBL27300181 0.69 KMT2A (0.63) KMT2ASMN1; SMN2FAAHPRSS1PRSS2
SCHEMBL7140571 0.69 EHMT2 (0.40) KMT2AEHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL7140573 0.68 ALDH1A1 (0.49) KMT2AEHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL1360606 0.67 EHMT2 (0.61) KMT2AEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL1972890 0.67 KMT2A (0.65) KMT2ASMN1; SMN2FAAHPRSS1PRSS2

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
EP-1086124-B1 NOVEL CYCLOSPORINS CHEM AG C (CH) 2003-11-19 EP disclosed
US-6583265-B1 Compound for use in the prevention of viral and bacterial infections C-CHEM AG (CH) 2003-06-24 US disclosed