SCHEMBL2188984

SCHEMBL2188984

COc1ccccc1N1CCN(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
TSHR P16473 4/20 0.62
MAPT P10636 7/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
NPC1 O15118 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
TACR3 P29371 1/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NOD2 Q9HC29 1/20 0.49

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
SCHEMBL2185882 0.88 LMNA (0.60) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2187509 0.88 LMNA (0.57) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2187066 0.87 LMNA (0.58) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2187117 0.85 ATM (0.52) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2185460 0.85 KMT2A (0.57) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2188767 0.84 LMNA (0.62) LMNATSHRMAPTHSD17B10HTT
SCHEMBL27756397 0.84 LMNA (0.55) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2188169 0.84 LMNA (0.55) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2188107 0.83 ALDH1A1 (0.57) LMNATSHRMAPTHSD17B10HTT
SCHEMBL2187968 0.83 KMT2A (0.57) LMNATSHRMAPTHSD17B10HTT

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