SCHEMBL2187979

SCHEMBL2187979

O=C(O)c1ccccc1C(=O)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 6/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 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
SCHEMBL27698604 0.92 LMNA (0.48) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2186962 0.91 LMNA (0.56) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2213153 0.91 LMNA (0.49) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2187717 0.90 LMNA (0.53) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL27698600 0.90 MEN1 (0.52) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2187480 0.90 LMNA (0.48) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2187384 0.90 MEN1 (0.47) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL13419502 0.89 MEN1 (0.52) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2187340 0.89 LMNA (0.57) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL2186864 0.88 LMNA (0.50) MEN1KMT2AMAPK1LMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
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
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed