SCHEMBL6175564

SCHEMBL6175564

CCOC(c1ccncc1N1CCCC1)C1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IGF1R P08069 1/20 0.34
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CYP3A4 P08684 2/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL6172891 0.87 CCR6 (0.34) ALDH1A1DPP4DPP7CYP3A4GAA
SCHEMBL6202665 0.80 SMN1; SMN2 (0.42) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6174181 0.79 CA12 (0.35) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6175001 0.77 LMNA (0.40) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6172452 0.74 HTT (0.36) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6170701 0.71 IGF1R (0.37) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL2932317 0.70 IGF1R (0.60) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6174638 0.70 IGF1R (0.43) SMN1; SMN2IGF1RALDH1A1CYP3A4GAA
SCHEMBL2938212 0.69 IGF1R (0.40) LMNAMAPK1HTTSMN1; SMN2IGF1R
SCHEMBL6174716 0.69 KMT2A (0.36) LMNAMAPK1HTTSMN1; SMN2IGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed