SCHEMBL3199116

SCHEMBL3199116

N=C(c1ccccc1C1c2ccccc2-c2ccccc21)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 4/20 0.35
CYP2C19 P33261 1/20 0.35
NOS1 P29475 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 1/20 0.33
TDO2 P48775 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3211330 0.84 NPC1 (0.37) BCHEACHEIDO1CYP2C19MEN1
SCHEMBL3213680 0.81 KDM4E (0.36) BCHEACHEIDO1ALDH1A1SMN1; SMN2
SCHEMBL3202297 0.78 CNR1 (0.38) BCHEACHECYP2C19MEN1KMT2A
SCHEMBL3209180 0.77 HPGD (0.35) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3202406 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL19190386 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3189696 0.74 IDO1 (0.31) IDO1CYP2C19MEN1KMT2AHPGD
SCHEMBL14566387 0.73 NPC1 (0.50) KMT2AALDH1A1HPGDTSHR
SCHEMBL3198892 0.70 CYP2C19 (0.32) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL3681694 0.70 HTR7 (0.41) CYP2C19MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed