SCHEMBL2188169

SCHEMBL2188169

O=C(c1csc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
TSHR P16473 4/20 0.55
HTT P42858 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
TP53 P04637 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 0.96 LMNA (0.60) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2187066 0.95 LMNA (0.58) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2185460 0.94 KMT2A (0.57) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL27756397 0.92 LMNA (0.55) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2187496 0.91 ATM (0.53) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2188167 0.91 KCNA5 (0.52) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2187968 0.90 KMT2A (0.57) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2188107 0.90 ALDH1A1 (0.57) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL27679661 0.89 ATM (0.51) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL27679664 0.87 ATM (0.49) LMNATSHRHTTNPSR1ALDH1A1

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 2 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-101233119-A Novel heterocyclic nf-kb inhibitors 4SC AG (DE) 2008-07-30 CN disclosed