SCHEMBL2187314

SCHEMBL2187314

COC(=O)C1Cc2ccc(O)cc2CN1C(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
PPARG P37231 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
BCL2 P10415 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33
PKM P14618 1/20 0.33
TRPC6 Q9Y210 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL2187044 0.81 TRPC6 (0.40) ALDH1A1LMNAGAASMN1; SMN2MAPK1
SCHEMBL2188486 0.76 MAPK1 (0.40) ALDH1A1LMNAGAASMN1; SMN2ME2
SCHEMBL2186813 0.75 SCD5 (0.43) ALDH1A1LMNASMN1; SMN2ALOX15TSHR
SCHEMBL2188684 0.74 KMT2A (0.39) ALDH1A1LMNAGAASMN1; SMN2ALOX15
SCHEMBL2186581 0.74 KMT2A (0.52) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL2188442 0.74 NPC1 (0.47) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL27679675 0.74 LMNA (0.50) ALDH1A1LMNASMN1; SMN2ME2ME1
SCHEMBL2185718 0.73 LMNA (0.40) ALDH1A1LMNAGAAPPARGALOX15
SCHEMBL2187333 0.72 MAPT (0.51) ALDH1A1LMNASMN1; SMN2HTTALOX15
SCHEMBL2187029 0.71 L3MBTL1 (0.46) ALDH1A1LMNAGAASMN1; SMN2ME2

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