SCHEMBL4862480

SCHEMBL4862480

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(C=O)n(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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 0.88 SMN1; SMN2 (0.38) IGF1RSMN1; SMN2ADORA1ALDH1A1MAPT
SCHEMBL4753369 0.73 L3MBTL1 (0.37) IGF1RSMN1; SMN2ADORA1MAPTKMT2A
SCHEMBL4754352 0.70 SMN1; SMN2 (0.50) IGF1RSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4753365 0.68 ALOX5 (0.43) IGF1RSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL23040402 0.67 ADORA1 (0.40) SMN1; SMN2ADORA1ALDH1A1MAPTLMNA
SCHEMBL2813774 0.67 NOD2 (0.40) ADORA1ALDH1A1KMT2AHPGD
SCHEMBL14398401 0.67 KMT2A (0.51) IGF1RADORA1ALDH1A1KMT2AUSP2
SCHEMBL25620998 0.67 CA12 (0.49) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL8232783 0.65 ADORA1 (0.43) SMN1; SMN2ADORA1ALDH1A1LMNANPSR1
SCHEMBL556981 0.65 ADORA1 (0.47) SMN1; SMN2ADORA1ALDH1A1LMNANPSR1

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