SCHEMBL1573594

SCHEMBL1573594

CCOC(=O)C1(F)CCN(C(=O)Oc2n[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GALR2 O43603 1/20 0.39
HTT P42858 1/20 0.39
LRRK2 Q5S007 2/20 0.38
NTRK1 P04629 1/20 0.38
OPRM1 P35372 1/20 0.37
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1573971 0.85 MAP2K4 (0.42) ALDH1A1SMN1; SMN2LRRK2NTRK1MAPK1
SCHEMBL1574048 0.85 GRM4 (0.41) ALDH1A1SMN1; SMN2NTRK1MAPK1MAP2K4
SCHEMBL1573854 0.79 RBP4 (0.45) MAPK1MAP2K4
SCHEMBL1573919 0.79 HRH4 (0.47) ALDH1A1MAPK1MAP2K4
SCHEMBL1573862 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL1573835 0.77 GAA (0.45) ALDH1A1SMN1; SMN2KDM4EMAPK1MAP2K4
SCHEMBL1573920 0.77 MAP2K4 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL1573781 0.77 MAP2K4 (0.41) ALDH1A1MAPK1MAP2K4
SCHEMBL1574198 0.77 TP53 (0.47) SMN1; SMN2MAPK1MAP2K4CYP1A2CYP2C19
SCHEMBL1574118 0.75 FLT3 (0.47) SMN1; SMN2MAPK1MEN1KMT2ACYP2C19

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
EP-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed