SCHEMBL6137032

SCHEMBL6137032

CCOC(=O)c1cc(C)cc(C)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
GLA P06280 1/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 7/20 0.57
MAPT P10636 4/20 0.57
HSD17B10 Q99714 4/20 0.57
GAA P10253 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 7/20 0.51
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6137034 0.78 CA12 (0.55) KDM4EGLAATMALDH1A1MAPT
SCHEMBL20234069 0.78 TSHR (0.52) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL6384518 0.78 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL9236279 0.75 TSHR (0.63) KDM4EGLAATMALDH1A1MAPT
SCHEMBL21730568 0.75 CYP3A4 (0.49) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL6136982 0.75 KDM4E (0.59) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL5987476 0.74 CYP3A4 (0.49) KDM4EGLAATMALDH1A1MAPT
SCHEMBL9673024 0.74 KDM4E (1.00) KDM4EGLAATMALDH1A1MAPT
SCHEMBL11584641 0.74 KDM4E (0.58) KDM4EGLAATMALDH1A1MAPT
SCHEMBL23768096 0.73 KDM4E (0.56) KDM4EGLAATMALDH1A1MAPT

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-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed