SCHEMBL2189118

SCHEMBL2189118

N#CC1(c2ccccc2)CCN(C(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 6/20 0.48
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 1/20 0.40
ALDH1A3 P47895 1/20 0.40
CNR1 P21554 1/20 0.39
CHRM4 P08173 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2186625 0.82 MAPT (0.56) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2186974 0.80 CACNA2D1 (0.48) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL27679675 0.80 LMNA (0.50) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2188722 0.78 KDM4E (0.57) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2188442 0.78 NPC1 (0.47) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2187333 0.76 MAPT (0.51) LMNAALOX15TSHRALDH1A1MAPT
SCHEMBL2186441 0.76 L3MBTL1 (0.58) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2187707 0.76 MLNR (0.41) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2186946 0.76 LMNA (0.46) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL2187555 0.75 MEN1 (0.50) LMNACYP2D6MAPTPKMALOX12

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
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
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