SCHEMBL12204080

SCHEMBL12204080

Fc1c(F)c(F)c(COCCNC2CCCCC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ CXCR4 P61073 2/20 0.35
▸ CXCL12 P48061 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ OPRL1 P41146 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21842124 0.76 SMN1; SMN2 (0.54) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL21842123 0.76 SMN1; SMN2 (0.54) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL21842364 0.76 SMN1; SMN2 (0.54) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204305 0.74 OPRL1 (0.42) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204203 0.74 FOXM1 (0.49) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204207 0.72 FOXM1 (0.68) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204109 0.72 OPRL1 (0.50) FOXM1SMN1; SMN2KDM4EALDH1A1OPRL1
SCHEMBL16281580 0.71 KDM4E (0.51) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204097 0.70 OPRL1 (0.49) FOXM1SMN1; SMN2KDM4EALDH1A1OPRL1
SCHEMBL24437848 0.69 CYP1A2 (0.57) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 — — EP disclosed
Send feedback