SCHEMBL1844700

SCHEMBL1844700

COC(=O)N1CCC[C@@H](Cc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL22450119 0.85 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDF2
SCHEMBL27504767 0.78 STS (0.48) HSD11B1
SCHEMBL3741416 0.78 STS (0.48) HSD11B1
SCHEMBL4391983 0.78 NPC1 (0.47) NPSR1SMN1; SMN2
SCHEMBL4900366 0.76 HSD11B1 (0.56) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL6734403 0.76 HSD11B1 (0.56) HSD11B1KMT2AALDH1A1
SCHEMBL3125721 0.76 HSD11B1 (0.50) HSD11B1MEN1KMT2AF2
SCHEMBL31300177 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL31474206 0.74 CCR3 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL27935767 0.74 MEN1 (0.44) HSD11B1MEN1KMT2AALDH1A1F2

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-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed