SCHEMBL2384352

SCHEMBL2384352

CCc1cccc(NC(=O)N2CCN(c3nsnc3OCc3ccnc(N(C)C(=O)O)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P2RY12 Q9H244 8/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PDGFRB P09619 2/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5573660 0.87 MEN1 (0.44) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL2385186 0.86 MEN1 (0.43) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL2383147 0.86 MEN1 (0.45) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL12250952 0.84 P2RY12 (0.41) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL2384924 0.80 PI4KB (0.44) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL2384049 0.80 DRD2 (0.48) MEN1KMT2AP2RY12DRD2DRD4
SCHEMBL12250950 0.79 PI4KB (0.43) MEN1KMT2AP2RY12PDGFRBMAPK1
SCHEMBL2384354 0.78 RAB9A (0.47) P2RY12PDGFRBALDH1A1FAAHMAPT
SCHEMBL2381747 0.78 TRPV1 (0.47) P2RY12PDGFRBFAAH
SCHEMBL2423033 0.78 KIT (0.48) P2RY12PDGFRBHSD17B10ALDH1A1TSHR

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
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed