SCHEMBL8006543

SCHEMBL8006543

CCOc1ccc(N(C)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
NQO1 P15559 1/20 0.50
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ADRA2A P08913 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
PLK1 P53350 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL9846597 0.84 PARP10 (0.59) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL3832407 0.84 ALDH1A1 (0.77) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL21399403 0.83 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTMAPK1POLB
SCHEMBL10548607 0.81 PARP10 (0.56) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL7615944 0.79 CA1 (0.53) PARP10ALDH1A1MAPTSMN1; SMN2MAOB
SCHEMBL8415852 0.79 PARP10 (0.54) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL9872013 0.78 NQO1 (0.54) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL8867764 0.77 LMNA (0.52) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL11929142 0.77 LMNA (0.52) PARP10ALDH1A1LMNAMAPTMAPK1
SCHEMBL8867157 0.76 LMNA (0.51) PARP10ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1997015305-A1 TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-05-01 WO disclosed