SCHEMBL2187044

SCHEMBL2187044

COc1cc2c(cc1OC)CN(C(=O)c1csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n1)C(C)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 5/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
BCL2 P10415 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2186581 0.85 KMT2A (0.52) KMT2AALDH1A1GAALMNAMAPK1
SCHEMBL2187333 0.81 MAPT (0.51) KMT2AALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2187314 0.81 ALDH1A1 (0.36) TRPC6ALDH1A1GAALMNAMAPK1
SCHEMBL2188486 0.78 MAPK1 (0.40) KMT2ANPC1ABCB1ABCC1ALDH1A1
SCHEMBL2188442 0.78 NPC1 (0.47) TRPC6KMT2ANPC1ALDH1A1GAA
SCHEMBL2186813 0.77 SCD5 (0.43) TRPC6ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2187029 0.77 L3MBTL1 (0.46) TRPC6KMT2AALDH1A1GAALMNA
SCHEMBL2188684 0.77 KMT2A (0.39) TRPC6KMT2AALDH1A1GAALMNA
SCHEMBL27679675 0.76 LMNA (0.50) KMT2AALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1044671 0.74 KMT2A (0.61) TRPC6KMT2ANPC1ALDH1A1GAA

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