SCHEMBL3199338

SCHEMBL3199338

c1ccc(C(CC2c3ccccc3-c3ccccc32)=NNc2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 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
SCHEMBL3214259 0.83 HPGD (0.41) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL3204498 0.82 KMT2A (0.37) CYP3A4NPC1RAB9ACYP1A2CYP2D6
SCHEMBL3213888 0.81 CYP3A4 (0.34) CYP3A4NPC1RAB9ACYP1A2CYP2D6
SCHEMBL3202964 0.80 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3192241 0.79 CYP3A4 (0.36) CYP3A4NPC1RAB9ACYP1A2CYP2D6
SCHEMBL3199330 0.78 CA1 (0.39) CYP3A4NPC1RAB9ACYP1A2CYP2D6
SCHEMBL3199326 0.75 KMT2A (0.42) CYP3A4CYP1A2MEN1KMT2AKDM4E
SCHEMBL3192712 0.74 MAPT (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3210970 0.72 HTR2A (0.35) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL29496057 0.72 CYP3A4 (0.53) CYP3A4NPC1RAB9ACYP1A2CYP2D6

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