SCHEMBL6411615

SCHEMBL6411615

O=C1CN(c2ncccn2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.46
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
DDB1 Q16531 4/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7830038 0.80 CRBN (0.65) CRBNDDB1ALDH1A1TSHRKDM4E
SCHEMBL29787379 0.77 CRBN (0.71) CRBNPOLBDDB1ALDH1A1TSHR
SCHEMBL2563426 0.77 CRBN (0.71) CRBNPOLBDDB1ALDH1A1TSHR
SCHEMBL21517777 0.75 CRBN (0.33) CRBNDDB1
SCHEMBL20298293 0.73 CRBN (0.32) CRBN
SCHEMBL8473403 0.69 ALDH1A1 (0.46) CRBNPOLBALDH1A1TSHRKDM4E
SCHEMBL28328116 0.69 CRBN (0.35) CRBNPOLBHSD17B10MAPTKMT2A
SCHEMBL8470423 0.69 CRBN (0.41) CRBNPDE3BPDE3AALDH1A1KDM4E
SCHEMBL8474128 0.69 CRBN (0.43) CRBNPDE3BPDE3ALMNADDB1
SCHEMBL746783 0.68 CRBN (0.66) CRBNDDB1KDM4EMAPTNPC1

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-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 WO disclosed