SCHEMBL2213735

SCHEMBL2213735

CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
CREBBP Q92793 1/20 0.52
SPR P35270 9/20 0.45
GPR119 Q8TDV5 1/20 0.44
HSD11B1 P28845 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL557776 0.85 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
Hydrochloric Acid SCHEMBL1703924 0.84 KDM4E (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2188470 0.82 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2188126 0.82 ALDH1A1 (0.50) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186733 0.80 KDM4E (0.48) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL1043606 0.80 HPGD (0.49) KDM4EPOLBGPR119MAPTTHRB
SCHEMBL2186561 0.80 NPSR1 (0.49) KDM4EALDH1A1GPR119MAPTTHRB
SCHEMBL14181451 0.79 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2186025 0.78 KDM4E (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL21714539 0.77 KDM4E (0.58) 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