SCHEMBL4729809

SCHEMBL4729809

S=C(Nc1cccc(Cl)c1)NC1CCN(c2ccnc3ccc(Cl)cc23)CC1.S=C(Nc1ccccc1Cl)NC1CCN(c2ccnc3ccc(Cl)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
PDGFRB P09619 1/20 0.44

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
SCHEMBL4582950 0.94 ALDH1A1 (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4583177 0.93 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4726941 0.92 PDGFRB (0.49) PDGFRB
SCHEMBL4582928 0.88 PKM (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4583521 0.88 PDGFRB (0.55) ALDH1A1LMNAPDGFRB
SCHEMBL4583138 0.86 ALDH1A1 (0.58) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4583908 0.86 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4582318 0.85 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4583992 0.85 ALDH1A1 (0.52) ALDH1A1LMNAPDGFRB
SCHEMBL4582248 0.85 PDGFRB (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed