SCHEMBL2187130

SCHEMBL2187130

O=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 7/20 0.47
MAPT P10636 5/20 0.47
TSHR P16473 4/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL2192226 0.94 KMT2A (0.55) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL2186146 0.90 CHRM4 (0.51) KMT2AMEN1NPSR1POLBSMN1; SMN2
SCHEMBL2187555 0.90 MEN1 (0.50) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL2186625 0.88 MAPT (0.56) KMT2AMEN1NPSR1POLBLMNA
SCHEMBL27679665 0.86 LMNA (0.46) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL2187717 0.86 LMNA (0.53) KMT2AMEN1NPSR1POLBSMN1; SMN2
SCHEMBL2188261 0.86 LMNA (0.56) KMT2AMEN1NPSR1POLBSMN1; SMN2
SCHEMBL27679669 0.85 KMT2A (0.43) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL2186962 0.85 LMNA (0.56) KMT2AMEN1NPSR1POLBSMN1; SMN2
SCHEMBL2188273 0.85 CHRM4 (0.52) KMT2AMEN1NPSR1CYP1A2CYP3A4

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 2 patents. 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
EP-1637529-A1 Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof 4SC AG (DE) 2006-03-22 EP disclosed