SCHEMBL4754352

SCHEMBL4754352

CCOC(=O)c1c(C)[nH]c(C=O)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 3/20 0.47
IGF1R P08069 1/20 0.43
HPGD P15428 3/20 0.41
MAPT P10636 7/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 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
SCHEMBL4750915 0.74 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL25620998 0.73 CA12 (0.49) SMN1; SMN2ALDH1A1KMT2APOLBHPGD
SCHEMBL1627475 0.73 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL25258780 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL7008915 0.71 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL4752944 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2APOLBHPGD
SCHEMBL25295408 0.70 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL25258164 0.70 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL25294601 0.70 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R
SCHEMBL4862480 0.70 IGF1R (0.39) SMN1; SMN2ALDH1A1KMT2APOLBIGF1R

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