SCHEMBL7141190

SCHEMBL7141190

O=S(=O)(Cc1ccccc1)OSc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 2/20 0.39
FAAH O00519 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
CA5A P35218 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 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
SCHEMBL7140577 0.76 KMT2A (0.45) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL1972890 0.68 KMT2A (0.65) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL29482080 0.68 TSHR (0.58) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7141184 0.67 ALDH1A1 (0.39) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27300181 0.67 KMT2A (0.63) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL28029593 0.66 ALDH1A1 (0.41) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3936439 0.66 KMT2A (0.57) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL11438308 0.66 KMT2A (0.57) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL10848414 0.66 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3CA1
SCHEMBL9344000 0.65 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3CA1

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 4 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
EP-1086124-A1 NOVEL CYCLOSPORINS C-Chem AG (CH) 2001-03-28 EP disclosed
WO-1999065933-A1 NOVEL CYCLOSPORINS C-CHEM AG (CH) 1999-12-23 WO disclosed