SCHEMBL5354775

SCHEMBL5354775

CC(=O)c1cccc(C(C)=Nc2cccc3ccccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN2A Q99250 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 9/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
F2 P00734 1/20 0.38

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
SCHEMBL5354773 1.00 POLB (0.45) POLBAGTR1KMT2ASCN2AALDH1A1
SCHEMBL5354574 0.92 SIGMAR1 (0.46) POLBAGTR1KMT2AALDH1A1SIGMAR1
SCHEMBL5358995 0.92 SIGMAR1 (0.46) POLBAGTR1KMT2AALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL6419075 0.89 POLB (0.45) POLBAGTR1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5603768 0.89 POLB (0.45) POLBAGTR1KMT2AALDH1A1KDM4E
SCHEMBL24404241 0.83 KMT2A (0.41) POLBAGTR1KMT2AALDH1A1KDM4E
SCHEMBL21113652 0.82 KMT2A (0.41) POLBAGTR1KMT2AALDH1A1KDM4E
SCHEMBL21113707 0.81 SIGMAR1 (0.41) POLBAGTR1KMT2AALDH1A1KDM4E
SCHEMBL4425088 0.79 GRIN2D (0.40) POLBAGTR1KMT2AALDH1A1KDM4E
SCHEMBL14792876 0.79 SIGMAR1 (0.41) POLBAGTR1KMT2ASCN2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
US-7037988-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2006-05-02 US disclosed
US-20050059786-A1 Process for the co-oligomerisation of ethylene and alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2005-03-17 US disclosed
EP-1322576-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-07-02 EP disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
WO-2002028805-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-04-11 WO disclosed