SCHEMBL4640702

SCHEMBL4640702

CC(C)[C@@]1(C)SC(NCCc2ccccc2)=NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TAAR1 Q96RJ0 3/20 0.38
NSD2 O96028 1/20 0.38
HSP90AA1 P07900 1/20 0.38
G6PD P11413 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL1561069 1.00 EPHX2 (0.42) EPHX2HSD11B1ALDH1A1NPSR1MEN1
SCHEMBL1605461 0.86 HSD11B1 (0.42) HSD11B1ALDH1A1NPSR1MEN1KMT2A
SCHEMBL1560814 0.78 EPHX2 (0.41) EPHX2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL1605577 0.77 HSD11B1 (0.39) HSD11B1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL10249402 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHKDC1PKM
SCHEMBL1605500 0.74 GAA (0.53) HSD11B1ALDH1A1KMT2AMAPK1LMNA
SCHEMBL1605156 0.74 LMNA (0.44) HSD11B1MEN1KMT2ATAAR1MAPK1
SCHEMBL1606574 0.74 LMNA (0.44) HSD11B1MEN1KMT2ATAAR1MAPK1
SCHEMBL1605158 0.74 LMNA (0.44) HSD11B1MEN1KMT2ATAAR1MAPK1
SCHEMBL10249047 0.73 USP2 (0.44) ALDH1A1NPSR1KMT2ASMN1; SMN2LMNA

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-1951696-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2008-08-06 EP disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 WO disclosed