SCHEMBL2186946

SCHEMBL2186946

O=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCc4ccccc43)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.41
CNR1 P21554 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39

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 0.87 NPC1 (0.47) LMNAALDH1A1TSHRGAAALOX15
SCHEMBL27679765 0.84 LMNA (0.44) LMNAMAPTKDM4ENPSR1ALDH1A1
SCHEMBL27679766 0.82 LMNA (0.43) LMNAMAPTKDM4ENPSR1ALDH1A1
SCHEMBL27679675 0.81 LMNA (0.50) LMNAMAPTALDH1A1TSHRALOX15
SCHEMBL2186625 0.80 MAPT (0.56) LMNAMAPTNPSR1ALDH1A1TSHR
SCHEMBL2188486 0.80 MAPK1 (0.40) LMNAMAPTALDH1A1TSHRGAA
SCHEMBL2187333 0.80 MAPT (0.51) LMNAMAPTALDH1A1TSHRALOX15
SCHEMBL5063079 0.79 ALDH1A1 (0.42) MAPTALDH1A1TSHRMAPK1RAB9A
SCHEMBL2185718 0.79 LMNA (0.40) LMNAALDH1A1TSHRGAAALOX15
SCHEMBL2186974 0.78 CACNA2D1 (0.48) LMNAMAPTKDM4ENPSR1ALDH1A1

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