SCHEMBL8129587

SCHEMBL8129587

Cn1c(=O)n(C2=CCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
PGR P06401 1/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP1A2 P05177 1/20 0.37
NPEPPS P55786 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR6 P50406 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL15730254 0.95 LMNA (0.49) LMNAMAPTPGRDDB1CRBN
SCHEMBL11876733 0.78 KDM4E (0.59) LMNAMAPTPGRDDB1CRBN
SCHEMBL3648904 0.78 LMNA (0.48) LMNAMAPTPGRALDH1A1SMN1; SMN2
SCHEMBL15723841 0.76 LMNA (0.46) LMNAMAPTPOLB
SCHEMBL20371571 0.76 LMNA (0.46) LMNAMAPTPGRCYP1A2ALDH1A1
SCHEMBL1492377 0.74 LMNA (0.44) LMNAMAPTALDH1A1
SCHEMBL14487357 0.70 APEX1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8564358 0.70 LMNA (1.00) LMNAMAPTCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL29798837 0.70 CYP1A2 (0.55) LMNAPGRCYP1A2ERCC1FEN1
SCHEMBL474339 0.70 CYP1A2 (0.55) LMNAPGRCYP1A2ERCC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed