SCHEMBL4753369

SCHEMBL4753369

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)cn(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.32
IGF1R P08069 1/20 0.32
PDE4D Q08499 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL4862480 0.73 IGF1R (0.39) ADORA1MAPTSMN1; SMN2USP2IGF1R
SCHEMBL2813827 0.72 L3MBTL1 (0.42) L3MBTL1ADORA1CRHBPCRHR2SMN1; SMN2
SCHEMBL16079405 0.70 ADORA1 (0.40) ADORA1CA12CA1CA2CA7
SCHEMBL15308528 0.69 ADORA1 (0.41) ADORA1CA12CA1CA2CA7
SCHEMBL4830101 0.69 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4752944 0.69 SMN1; SMN2 (0.47) ADORA1CA12CA1CA2CA7
SCHEMBL9080409 0.69 TSHR (0.43) L3MBTL1CA12CA1CA2CA7
SCHEMBL23040402 0.69 ADORA1 (0.40) ADORA1GPR119MAPTSMN1; SMN2TP53
SCHEMBL16048994 0.68 ADORA1 (0.40) ADORA1CA12CA1CA2CA7
SCHEMBL17643748 0.68 CRHBP (0.34) ADORA1CRHBPCRHR2KMT2A

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO disclosed