SCHEMBL4752944

SCHEMBL4752944

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c[nH]c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPK1 P28482 2/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.38
PDE4D Q08499 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 3/20 0.36

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
SCHEMBL4830101 0.76 CA12 (0.50) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL15308528 0.76 ADORA1 (0.41) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL9080409 0.76 TSHR (0.43) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL16048994 0.74 ADORA1 (0.40) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL16079405 0.74 ADORA1 (0.40) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL5571616 0.73 POLB (0.38) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL8189712 0.72 TSHR (0.56) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL25620998 0.72 CA12 (0.49) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL21428169 0.71 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4754352 0.71 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9ALMNA

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