SCHEMBL2187334

SCHEMBL2187334

O=C1NC2=CSC(CCCCC(=O)N3CCC(c4nc(C(=O)N5CCC(c6c[nH]c7ccccc67)CC5)cs4)CC3)C2N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
SPR P35270 9/20 0.38
CHRM4 P08173 1/20 0.37
CCR2 P41597 1/20 0.36
SLC2A1 P11166 1/20 0.35
HSD11B1 P28845 1/20 0.35
ADRA1D P25100 1/20 0.34

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
SCHEMBL2187329 0.84 SLC6A4 (0.45) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5774732 0.82 KDM4E (0.43) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2188126 0.77 ALDH1A1 (0.50) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186733 0.75 KDM4E (0.48) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2188470 0.72 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186025 0.71 KDM4E (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2213735 0.71 KDM4E (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2187684 0.71 HSD11B1 (0.48) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27698607 0.70 KMT2A (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27698609 0.69 KMT2A (0.45) KDM4EBRD4ALDH1A1POLBCREBBP

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed