SCHEMBL2185602

SCHEMBL2185602

Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N5CCC(c6c[nH]c7ccccc67)CC5)cs4)CC3)c(C)n2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45
SPR P35270 12/20 0.43
HSD11B1 P28845 3/20 0.40
CCR2 P41597 2/20 0.37

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
SCHEMBL2186866 0.82 NR2E1 (0.47) KDM4EALDH1A1
SCHEMBL4298330 0.81 SPR (0.45) SPRHSD11B1
SCHEMBL2213735 0.77 KDM4E (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2188470 0.77 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186066 0.77 LMNA (0.45) ALDH1A1POLB
SCHEMBL2188126 0.76 ALDH1A1 (0.50) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL491365 0.76 DPP4 (0.35) SPR
SCHEMBL2186733 0.75 KDM4E (0.48) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27698607 0.74 KMT2A (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186025 0.72 KDM4E (0.46) 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 3 patents. 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
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed
EP-1637529-A1 Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof 4SC AG (DE) 2006-03-22 EP disclosed