SCHEMBL2188486

SCHEMBL2188486

O=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCc4cc(O)c(O)cc4C3)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 3/20 0.36
CA1 P00915 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
SCHEMBL2188442 0.90 NPC1 (0.47) MAPK1LMNAALOX15TSHRGAA
SCHEMBL2188684 0.84 KMT2A (0.39) MAPK1LMNAALOX15TSHRGAA
SCHEMBL27679675 0.80 LMNA (0.50) MAPK1LMNAALOX15TSHRPOLB
SCHEMBL2186946 0.80 LMNA (0.46) MAPK1LMNAALOX15TSHRGAA
SCHEMBL2187044 0.78 TRPC6 (0.40) MAPK1LMNAGAAATMNPC1
SCHEMBL2186625 0.78 MAPT (0.56) MAPK1LMNAALOX15TSHRATM
SCHEMBL2187707 0.77 MLNR (0.41) MAPK1LMNAALOX15TSHRGAA
SCHEMBL2187555 0.76 MEN1 (0.50) LMNAATMPOLBME2ME1
SCHEMBL2186813 0.76 SCD5 (0.43) MAPK1LMNAALOX15TSHRPOLB
SCHEMBL2186581 0.76 KMT2A (0.52) MAPK1LMNATSHRGAAKMT2A

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