SCHEMBL8930901

SCHEMBL8930901

CCCCc1cccc(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APAF1 O14727 1/20 0.36
NOD2 Q9HC29 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
TSHR P16473 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
SCHEMBL16956630 0.89 CYP1A2 (0.44) CYP1A2CYP2C19LMNAL3MBTL1GAA
SCHEMBL8400783 0.89 LIPG (0.40) LMNAGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL8400778 0.84 BID (0.38) CYP1A2LMNAGAAKDM4EALDH1A1
SCHEMBL8861011 0.82 CYSLTR2 (0.38) LIPGALOX5PTGS2CYSLTR2CYSLTR1
SCHEMBL8861003 0.82 NPC1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL3859990 0.81 CYP1A2 (0.47) CYP1A2CYP2C19LMNAL3MBTL1GAA
SCHEMBL28046783 0.80 CYP1A2 (0.43) CYP1A2CYP2C19LMNAL3MBTL1GAA
SCHEMBL28875626 0.78 ALOX5 (0.54) LMNAHTTNPSR1MAPTRAB9A
SCHEMBL8958884 0.77 LIPG (0.42) L3MBTL1SMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL27569853 0.77 CD274 (0.44) SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187734-B2 Proton-conducting polymer composition and method for preparation thereof, catalyst ink containing said proton-conducting polymer composition and fuel cell including said catalyst ink TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-05-29 US disclosed
US-20110065021-A1 Novel Sulfonic-Acid-Group-Containing Segmented Block Copolymer, Application Thereof, and Method of Manufacturing Novel Block Copolymer TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-03-17 US disclosed
CN-100415750-C Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2008-09-03 CN disclosed
CN-1772749-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2006-05-17 CN disclosed
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1225365-A Fungicides for control of take-all disease of plants MONSANTO CO (US) 1999-08-11 CN disclosed
CN-1225364-A Fungicides for control of take-all disease of plants MONSANTO CO (US) 1999-08-11 CN disclosed
CN-1221745-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
CN-1221746-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed