SCHEMBL2187121

SCHEMBL2187121

COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)c3ccccc3OC(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.48
CSNK1D P48730 1/20 0.48
MAPT P10636 5/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
TACR3 P29371 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
CSNK1G3 Q9Y6M4 1/20 0.46
DRD2 P14416 1/20 0.46
EED O75530 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2187098 0.86 CSNK1E (0.51) CSNK1ECSNK1DMAPTLMNAPOLB
SCHEMBL2188622 0.82 CSNK1E (0.53) CSNK1ECSNK1DMAPTALDH1A1L3MBTL1
SCHEMBL2188423 0.82 CSNK1E (0.56) CSNK1ECSNK1DMAPTALDH1A1LMNA
SCHEMBL2187360 0.82 CSNK1E (0.49) CSNK1ECSNK1DMAPTALDH1A1LMNA
SCHEMBL2188562 0.81 LMNA (0.67) MAPTLMNAKMT2APOLBL3MBTL1
SCHEMBL15541991 0.77 CSNK1E (0.60) CSNK1ECSNK1DALDH1A1LMNAKMT2A
SCHEMBL420828 0.76 CSNK1E (0.59) CSNK1ECSNK1DALDH1A1KMT2AL3MBTL1
SCHEMBL27698601 0.75 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL15541229 0.74 SMN1; SMN2 (0.64) CSNK1ECSNK1DMAPTALDH1A1LMNA
SCHEMBL2187871 0.72 LMNA (0.54) CSNK1ECSNK1DMAPTALDH1A1LMNA

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