SCHEMBL6174181

SCHEMBL6174181

CCN1CCN(c2cnccc2C(N(CC)CC)C2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
IGF1R P08069 1/20 0.33
KDM2B Q8NHM5 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL6175564 0.79 LMNA (0.39) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL2938212 0.75 IGF1R (0.40) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL6173929 0.75 IGF1R (0.36) CA12CA1CA2CA9IGF1R
SCHEMBL6202665 0.73 SMN1; SMN2 (0.42) CA12CA1CA2CA9IGF1R
SCHEMBL6172452 0.72 HTT (0.36) CA12CA1CA2CA9IGF1R
SCHEMBL6184115 0.72 CYP3A4 (0.36) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL2935040 0.71 CYP3A4 (0.37) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL2933093 0.70 IGF1R (0.39) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL6173546 0.67 KMT2A (0.36) IGF1RSMN1; SMN2LMNAMAPK1HTT
SCHEMBL6174716 0.67 KMT2A (0.36) IGF1RSMN1; SMN2LMNAMAPK1HTT

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