SCHEMBL3659526

SCHEMBL3659526

CNC(=O)CCNC(=O)c1cc(C)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.46
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
CCR2 P41597 2/20 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
SCHEMBL3654201 0.93 F2 (0.39) F2RHOCRHOARAB9ADRD2
SCHEMBL3662481 0.91 F2 (0.37) F2RHOCRHOATP53DRD2
SCHEMBL3656172 0.91 F2 (0.46) F2TP53LMNADRD2DRD3
SCHEMBL3660828 0.90 RHOC (0.47) F2RHOCRHOACCR2
SCHEMBL3661726 0.89 CCR2 (0.39) F2LMNADRD2DRD3POLB
SCHEMBL3658255 0.89 F2 (0.36) F2RHOCRHOADRD2DRD3
SCHEMBL975802 0.86 F2 (0.48) F2TP53LMNARAB9ADRD2
SCHEMBL3662128 0.84 TSHR (0.35) TP53LMNAPOLBALDH1A1
SCHEMBL974359 0.83 F2 (0.42) F2TP53LMNAKMT2ACCR2
SCHEMBL3656419 0.83 NPC1 (0.35) F2RAB9A

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-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed